Molecule ID: 3332

IUPAC Name: 2-(4-phenylphenyl)acetic acid

Description: The molecule is a monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis. It has a role as a non-steroidal anti-inflammatory drug. It is a member of biphenyls and a monocarboxylic acid. It contains a biphenyl-4-yl group. It derives from an acetic acid.

SMILES: O=C(O)Cc1ccc(-c2ccccc2)cc1

SELFIES: [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]

InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.0