Molecule ID: 32176

IUPAC Name: 2-(6-methoxynaphthalen-2-yl)acetic acid

Description: The molecule is a monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, a drug metabolite and a xenobiotic metabolite. It is a monocarboxylic acid and a methoxynaphthalene. It derives from a 2-naphthylacetic acid.

SMILES: COc1ccc2cc(CC(=O)O)ccc2c1

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

InChI: InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.6