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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 38 results
1

3-(2-Chloro-6-fluorophenyl)propionic acid, 96%

CAS: 88740-77-6 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD06660331 InChI Key: IJIZOJZUZZTIDJ-UHFFFAOYSA-N Synonym: 3-2-chloro-6-fluorophenyl propanoic acid,3-2-chloro-6-fluorophenyl propionic acid,benzenepropanoicacid, 2-chloro-6-fluoro,acmc-20afgf,3-2-chloro-6-fluorophenyl propanoicacid,3-6-chloro-2-fluorophenyl propanoic acid PubChem CID: 9149705 IUPAC Name: 3-(2-chloro-6-fluorophenyl)propanoic acid SMILES: OC(=O)CCC1=C(F)C=CC=C1Cl

PubChem CID 9149705
CAS 88740-77-6
Molecular Weight (g/mol) 202.61
MDL Number MFCD06660331
SMILES OC(=O)CCC1=C(F)C=CC=C1Cl
Synonym 3-2-chloro-6-fluorophenyl propanoic acid,3-2-chloro-6-fluorophenyl propionic acid,benzenepropanoicacid, 2-chloro-6-fluoro,acmc-20afgf,3-2-chloro-6-fluorophenyl propanoicacid,3-6-chloro-2-fluorophenyl propanoic acid
IUPAC Name 3-(2-chloro-6-fluorophenyl)propanoic acid
InChI Key IJIZOJZUZZTIDJ-UHFFFAOYSA-N
Molecular Formula C9H8ClFO2
2

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

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
3

Loxoprofen 97.0+%, TCI America™

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
4

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

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
5

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

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
6

Loxoprofen Sodium Salt Dihydrate 98.0+%, TCI America™

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
7

Iopanoic Acid 98.0+%, TCI America™

CAS: 96-83-3 Molecular Formula: C11H12I3NO2 Molecular Weight (g/mol): 570.935 MDL Number: MFCD00038687 InChI Key: OIRFJRBSRORBCM-UHFFFAOYSA-N Synonym: 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid, 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid, Iodopanoic Acid, 2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid PubChem CID: 3735 ChEBI: CHEBI:5951 IUPAC Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O

PubChem CID 3735
CAS 96-83-3
Molecular Weight (g/mol) 570.935
ChEBI CHEBI:5951
MDL Number MFCD00038687
SMILES CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O
Synonym 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid, 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid, Iodopanoic Acid, 2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid
IUPAC Name 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
InChI Key OIRFJRBSRORBCM-UHFFFAOYSA-N
Molecular Formula C11H12I3NO2
8

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
9

Ibuprofen, USP grade, MP Biomedicals™

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
10

3-(3-Methoxyphenyl)propionic acid, 98+%

CAS: 10516-71-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00014027 InChI Key: BJJQJLOZWBZEGA-UHFFFAOYSA-N Synonym: 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate PubChem CID: 66336 IUPAC Name: 3-(3-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC(CCC(O)=O)=C1

PubChem CID 66336
CAS 10516-71-9
Molecular Weight (g/mol) 180.20
MDL Number MFCD00014027
SMILES COC1=CC=CC(CCC(O)=O)=C1
Synonym 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate
IUPAC Name 3-(3-methoxyphenyl)propanoic acid
InChI Key BJJQJLOZWBZEGA-UHFFFAOYSA-N
Molecular Formula C10H12O3
11

DL-3-Phenyllactic acid, 97%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

PubChem CID 3848
CAS 828-01-3
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:25998
MDL Number MFCD00065928
SMILES C1=CC=C(C=C1)CC(C(=O)O)O
Synonym dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid
IUPAC Name 2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula C9H10O3
12

3-(5-Bromo-2-methoxyphenyl)propionic acid, 96%, Thermo Scientific Chemicals

CAS: 82547-30-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.10 MDL Number: MFCD09258907 InChI Key: RCLIOLQUIYTUPY-UHFFFAOYSA-N Synonym: 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid PubChem CID: 22685184 IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid SMILES: COC1=C(CCC(O)=O)C=C(Br)C=C1

PubChem CID 22685184
CAS 82547-30-6
Molecular Weight (g/mol) 259.10
MDL Number MFCD09258907
SMILES COC1=C(CCC(O)=O)C=C(Br)C=C1
Synonym 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid
IUPAC Name 3-(5-bromo-2-methoxyphenyl)propanoic acid
InChI Key RCLIOLQUIYTUPY-UHFFFAOYSA-N
Molecular Formula C10H11BrO3
13

D(+)-Phenyllactic acid, 98%

CAS: 7326-19-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00078062 InChI Key: VOXXWSYKYCBWHO-MRVPVSSYSA-N Synonym: r-2-hydroxy-3-phenylpropionic acid,r-2-hydroxy-3-phenylpropanoic acid,2r-2-hydroxy-3-phenylpropanoic acid,d-+-phenyllactic acid,d-+-3-phenyllactic acid,r-phenyllactate,r-+-3-phenyllactic acid,3-phenyl-d-lactic acid,r-3-phenyllactic acid,r-,a-hydroxy-3-phenylpropionic acid PubChem CID: 643327 ChEBI: CHEBI:32978 IUPAC Name: (2R)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@H](CC1=CC=CC=C1)C(O)=O

PubChem CID 643327
CAS 7326-19-4
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:32978
MDL Number MFCD00078062
SMILES O[C@H](CC1=CC=CC=C1)C(O)=O
Synonym r-2-hydroxy-3-phenylpropionic acid,r-2-hydroxy-3-phenylpropanoic acid,2r-2-hydroxy-3-phenylpropanoic acid,d-+-phenyllactic acid,d-+-3-phenyllactic acid,r-phenyllactate,r-+-3-phenyllactic acid,3-phenyl-d-lactic acid,r-3-phenyllactic acid,r-,a-hydroxy-3-phenylpropionic acid
IUPAC Name (2R)-2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-MRVPVSSYSA-N
Molecular Formula C9H10O3
14

3-(3,4,5-Trimethoxyphenyl)propionic acid, 98%

CAS: 25173-72-2 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.25 MDL Number: MFCD00002775 InChI Key: ZCYXGVJUZBKJAI-UHFFFAOYSA-N Synonym: 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958 PubChem CID: 64860 ChEBI: CHEBI:583580 IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid SMILES: COC1=CC(=CC(=C1OC)OC)CCC(=O)O

PubChem CID 64860
CAS 25173-72-2
Molecular Weight (g/mol) 240.25
ChEBI CHEBI:583580
MDL Number MFCD00002775
SMILES COC1=CC(=CC(=C1OC)OC)CCC(=O)O
Synonym 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958
IUPAC Name 3-(3,4,5-trimethoxyphenyl)propanoic acid
InChI Key ZCYXGVJUZBKJAI-UHFFFAOYSA-N
Molecular Formula C12H16O5
15

3-(4-tert-Butylphenyl)propionic acid, 97%

CAS: 1208-64-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00796482 InChI Key: BNJYANVQFVSYEK-UHFFFAOYSA-N Synonym: 3-4-tert-butyl-phenyl-propionic acid,3-4-tert-butyl phenyl propanoic acid,3-4-tert-butylphenyl propanoic acid,4-1,1-dimethylethyl benzenepropanoic acid,4-t-butylhydrocinnamic acid,4-t-butylhydrocinnamic aicd,4-tert-butylhydrocinnamic acid,3-4-t-butylphenyl propionic acid,3-4-t-butylphenyl propanoic acid PubChem CID: 4962173 IUPAC Name: 3-(4-tert-butylphenyl)propanoic acid SMILES: CC(C)(C)C1=CC=C(C=C1)CCC(=O)O

PubChem CID 4962173
CAS 1208-64-6
Molecular Weight (g/mol) 206.285
MDL Number MFCD00796482
SMILES CC(C)(C)C1=CC=C(C=C1)CCC(=O)O
Synonym 3-4-tert-butyl-phenyl-propionic acid,3-4-tert-butyl phenyl propanoic acid,3-4-tert-butylphenyl propanoic acid,4-1,1-dimethylethyl benzenepropanoic acid,4-t-butylhydrocinnamic acid,4-t-butylhydrocinnamic aicd,4-tert-butylhydrocinnamic acid,3-4-t-butylphenyl propionic acid,3-4-t-butylphenyl propanoic acid
IUPAC Name 3-(4-tert-butylphenyl)propanoic acid
InChI Key BNJYANVQFVSYEK-UHFFFAOYSA-N
Molecular Formula C13H18O2