chempirical

α-Methyl[1,1′-biphenyl]-4-acetic acid

C15H14O2CAS 6341-72-6226.28 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C15H14O2
Molar mass
226.28 g/mol
Exact mass
226.0994 Da
Melting point
168–169 °C
logP
3.54Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
6341-72-6
SMILES
CC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIKey
JALUUBQFLPUJMY-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • [1,1′-Biphenyl]-4-acetic acid, α-methyl-
  • 4-Biphenylacetic acid, α-methyl-
  • Hydratropic acid, p-phenyl-
  • 2-(4-Biphenylyl)propionic acid
  • 2-(4-Biphenyl)propionic acid
  • (±)-2-(4-Biphenyl)propionic acid
  • Biprofen
  • NSC 16300
  • 2-(4-Phenylphenyl)propionic acid
  • 16300Y1
  • 2-((1,1′-Biphenyl]-4-yl)propanoic acid
  • 2-(4-Biphenylyl)propanoic acid
  • 2-(4-Phenylphenyl)propanoic acid

Work with α-Methyl[1,1′-biphenyl]-4-acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Phenylpropionic acid492-37-579 % similar (+)-2-Phenylpropionic acid7782-24-379 % similar (-)-2-Phenylpropionic acid7782-26-579 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-566 % similar Flurbiprofen5104-49-463 % similar (-)-Flurbiprofen51543-40-963 % similar 4-Chloro-α-methylbenzeneacetic acid938-95-462 % similar 2-(4-Bromomethyl)phenylpropionic acid111128-12-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 P-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-4 Methyl α-phenylbenzeneacetate3469-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook