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Phenylpropanoic acids

Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.
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1 – 15 of 199 results
1

Sodium 3-(4-Hydroxy-3-methoxyphenyl)lactate 99.0+%, TCI America™
SDP

CAS: 77305-02-3 Molecular Formula: C10H11NaO5 Molecular Weight (g/mol): 234.183 MDL Number: MFCD00056719 InChI Key: VYPSMFXPMZZSSK-UHFFFAOYSA-M Synonym: 3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt, Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate, 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt PubChem CID: 44630328 IUPAC Name: sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate SMILES: COC1=C(C=CC(=C1)CC(C(=O)[O-])O)O.[Na+]

PubChem CID 44630328
CAS 77305-02-3
Molecular Weight (g/mol) 234.183
MDL Number MFCD00056719
SMILES COC1=C(C=CC(=C1)CC(C(=O)[O-])O)O.[Na+]
Synonym 3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt, Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate, 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt
IUPAC Name sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate
InChI Key VYPSMFXPMZZSSK-UHFFFAOYSA-M
Molecular Formula C10H11NaO5
2

3-Hydroxy-3-phenylpropionic Acid 98.0+%, TCI America™
SDP

CAS: 3480-87-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00137907 InChI Key: AYOLELPCNDVZKZ-UHFFFAOYSA-N PubChem CID: 92959 ChEBI: CHEBI:19929 IUPAC Name: 3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O

PubChem CID 92959
CAS 3480-87-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:19929
MDL Number MFCD00137907
SMILES C1=CC=C(C=C1)C(CC(=O)O)O
IUPAC Name 3-hydroxy-3-phenylpropanoic acid
InChI Key AYOLELPCNDVZKZ-UHFFFAOYSA-N
Molecular Formula C9H10O3
3

(S)-(+)-2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™
SDP

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.285
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
4

TUG 891, Tocris Bioscience™
GREENER_CHOICE

CAS: 1374516-07-0 Molecular Formula: C23H21FO3 Molecular Weight (g/mol): 364.416 InChI Key: LPGBXHWIQNZEJB-UHFFFAOYSA-N Synonym: 3-4-5-fluoro-2-4-methylphenyl phenyl methoxy phenyl propanoic acid,4-4-fluoro-4'-methyl 1,1'-biphenyl-2-yl methoxy-benzenepropanoic acid,d0k6eg,3-4-4-fluoro-4'-methylbiphenyl-2-yl methoxy phenyl propanoic acid,3-4-4-fluoro-4-methyl-1,1-biphenyl-2-yl methoxy phenyl propanoic acid PubChem CID: 57522038 IUPAC Name: 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid SMILES: CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O

PubChem CID 57522038
CAS 1374516-07-0
Molecular Weight (g/mol) 364.416
SMILES CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O
Synonym 3-4-5-fluoro-2-4-methylphenyl phenyl methoxy phenyl propanoic acid,4-4-fluoro-4'-methyl 1,1'-biphenyl-2-yl methoxy-benzenepropanoic acid,d0k6eg,3-4-4-fluoro-4'-methylbiphenyl-2-yl methoxy phenyl propanoic acid,3-4-4-fluoro-4-methyl-1,1-biphenyl-2-yl methoxy phenyl propanoic acid
IUPAC Name 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
InChI Key LPGBXHWIQNZEJB-UHFFFAOYSA-N
Molecular Formula C23H21FO3
5

2-[(Acetylthio)methyl]-3-phenylpropionic Acid 98.0+%, TCI America™
SDP

CAS: 91702-98-6 Molecular Formula: C12H14O3S Molecular Weight (g/mol): 238.301 MDL Number: MFCD00236751 InChI Key: BCAAXVOKLXDSPD-UHFFFAOYSA-N PubChem CID: 9991796 IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)O

PubChem CID 9991796
CAS 91702-98-6
Molecular Weight (g/mol) 238.301
MDL Number MFCD00236751
SMILES CC(=O)SCC(CC1=CC=CC=C1)C(=O)O
IUPAC Name 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
InChI Key BCAAXVOKLXDSPD-UHFFFAOYSA-N
Molecular Formula C12H14O3S
6

Benzylmalonic Acid 98.0+%, TCI America™
SDP

CAS: 616-75-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004261 InChI Key: JAEJSNFTJMYIEF-UHFFFAOYSA-N PubChem CID: 12031 IUPAC Name: 2-benzylpropanedioic acid SMILES: OC(=O)C(CC1=CC=CC=C1)C(O)=O

PubChem CID 12031
CAS 616-75-1
Molecular Weight (g/mol) 194.19
MDL Number MFCD00004261
SMILES OC(=O)C(CC1=CC=CC=C1)C(O)=O
IUPAC Name 2-benzylpropanedioic acid
InChI Key JAEJSNFTJMYIEF-UHFFFAOYSA-N
Molecular Formula C10H10O4
7

2-Benzylacrylic Acid 98.0+%, TCI America™
SDP

CAS: 5669-19-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00854174 InChI Key: RYNDYESLUKWOEE-UHFFFAOYSA-N Synonym: 2-Methylene-3-phenylpropionic Acid PubChem CID: 303571 IUPAC Name: 2-benzylprop-2-enoic acid SMILES: OC(=O)C(=C)CC1=CC=CC=C1

PubChem CID 303571
CAS 5669-19-2
Molecular Weight (g/mol) 162.19
MDL Number MFCD00854174
SMILES OC(=O)C(=C)CC1=CC=CC=C1
Synonym 2-Methylene-3-phenylpropionic Acid
IUPAC Name 2-benzylprop-2-enoic acid
InChI Key RYNDYESLUKWOEE-UHFFFAOYSA-N
Molecular Formula C10H10O2
8

Carbidopa monohydrate, 99%, Thermo Scientific Chemicals

CAS: 38821-49-7 Molecular Formula: C10H14N2O4·H2O Molecular Weight (g/mol): 244.25 InChI Key: QTAOMKOIBXZKND-PPHPATTJSA-N Synonym: 3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate PubChem CID: 38101 ChEBI: CHEBI:3395 IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O

PubChem CID 38101
CAS 38821-49-7
Molecular Weight (g/mol) 244.25
ChEBI CHEBI:3395
SMILES CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
Synonym 3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate
IUPAC Name (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate
InChI Key QTAOMKOIBXZKND-PPHPATTJSA-N
Molecular Formula C10H14N2O4·H2O
9

Cetraxate Hydrochloride 98.0+%, TCI America™
SDP

CAS: 27724-96-5 Molecular Formula: C17H24ClNO4 Molecular Weight (g/mol): 341.83 MDL Number: MFCD01722166 InChI Key: USROQQUKEBHOFF-UHFFFAOYSA-N Synonym: 3-[4-[[trans-4-(Aminomethyl)cyclohexyl]carbonyloxy]phenyl]propanoic Acid Hydrochloride PubChem CID: 34001 IUPAC Name: hydrogen 3-{4-[4-(aminomethyl)cyclohexanecarbonyloxy]phenyl}propanoic acid chloride SMILES: [H+].[Cl-].NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1

PubChem CID 34001
CAS 27724-96-5
Molecular Weight (g/mol) 341.83
MDL Number MFCD01722166
SMILES [H+].[Cl-].NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1
Synonym 3-[4-[[trans-4-(Aminomethyl)cyclohexyl]carbonyloxy]phenyl]propanoic Acid Hydrochloride
IUPAC Name hydrogen 3-{4-[4-(aminomethyl)cyclohexanecarbonyloxy]phenyl}propanoic acid chloride
InChI Key USROQQUKEBHOFF-UHFFFAOYSA-N
Molecular Formula C17H24ClNO4
10

3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine Sesquihydrate 98.0+%, TCI America™
SDP

CAS: 555-30-6 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.217 MDL Number: MFCD00004186 InChI Key: CJCSPKMFHVPWAR-JTQLQIEISA-N Synonym: methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin PubChem CID: 38853 ChEBI: CHEBI:61058 IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N

PubChem CID 38853
CAS 555-30-6
Molecular Weight (g/mol) 211.217
ChEBI CHEBI:61058
MDL Number MFCD00004186
SMILES CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
Synonym methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin
IUPAC Name (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
InChI Key CJCSPKMFHVPWAR-JTQLQIEISA-N
Molecular Formula C10H13NO4
11

2,3-Dibromo-3-phenylpropionic Acid 98.0+%, TCI America™
SDP

CAS: 6286-30-2 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.97 MDL Number: MFCD00004208 InChI Key: FXJWTHBNVZNQQP-UHFFFAOYNA-N Synonym: alpha,beta-Dibromohydrocinnamic Acid PubChem CID: 22705 IUPAC Name: 2,3-dibromo-3-phenylpropanoic acid SMILES: OC(=O)C(Br)C(Br)C1=CC=CC=C1

PubChem CID 22705
CAS 6286-30-2
Molecular Weight (g/mol) 307.97
MDL Number MFCD00004208
SMILES OC(=O)C(Br)C(Br)C1=CC=CC=C1
Synonym alpha,beta-Dibromohydrocinnamic Acid
IUPAC Name 2,3-dibromo-3-phenylpropanoic acid
InChI Key FXJWTHBNVZNQQP-UHFFFAOYNA-N
Molecular Formula C9H8Br2O2
12

Loxoprofen Sodium Salt Dihydrate 98.0+%, TCI America™
SDP

CAS: 226721-96-6 Molecular Formula: C15H21NaO5 Molecular Weight (g/mol): 304.318 MDL Number: MFCD01745788 InChI Key: BAZQYVYVKYOAGO-UHFFFAOYSA-M Synonym: Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt PubChem CID: 23674745 ChEBI: CHEBI:31786 IUPAC Name: sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]

PubChem CID 23674745
CAS 226721-96-6
Molecular Weight (g/mol) 304.318
ChEBI CHEBI:31786
MDL Number MFCD01745788
SMILES CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]
Synonym Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt
IUPAC Name sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate
InChI Key BAZQYVYVKYOAGO-UHFFFAOYSA-M
Molecular Formula C15H21NaO5
13

Loxoprofen 97.0+%, TCI America™
SDP

CAS: 68767-14-6 Molecular Formula: C15H18O3 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00864331 InChI Key: YMBXTVYHTMGZDW-UHFFFAOYNA-N Synonym: 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid PubChem CID: 3965 ChEBI: CHEBI:76172 IUPAC Name: 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid SMILES: CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1

PubChem CID 3965
CAS 68767-14-6
Molecular Weight (g/mol) 246.31
ChEBI CHEBI:76172
MDL Number MFCD00864331
SMILES CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1
Synonym 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid
IUPAC Name 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
InChI Key YMBXTVYHTMGZDW-UHFFFAOYNA-N
Molecular Formula C15H18O3
14

3-(4-Methoxyphenyl)propionic acid, 98%, Thermo Scientific Chemicals

CAS: 1929-29-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002777 InChI Key: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy PubChem CID: 95750 IUPAC Name: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O

PubChem CID 95750
CAS 1929-29-9
Molecular Weight (g/mol) 180.203
MDL Number MFCD00002777
SMILES COC1=CC=C(C=C1)CCC(=O)O
Synonym 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy
IUPAC Name 3-(4-methoxyphenyl)propanoic acid
InChI Key FIUFLISGGHNPSM-UHFFFAOYSA-N
Molecular Formula C10H12O3
15

2-[4-(Bromomethyl)phenyl]propionic acid, 96%, Thermo Scientific Chemicals

CAS: 111128-12-2 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD02093445 InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid PubChem CID: 2733978 IUPAC Name: 2-[4-(bromomethyl)phenyl]propanoic acid SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O

PubChem CID 2733978
CAS 111128-12-2
Molecular Weight (g/mol) 243.1
MDL Number MFCD02093445
SMILES CC(C1=CC=C(C=C1)CBr)C(=O)O
Synonym 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid
IUPAC Name 2-[4-(bromomethyl)phenyl]propanoic acid
InChI Key QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Molecular Formula C10H11BrO2