Molecule ID: 85787655

IUPAC Name: 3-hydroxy-5-methylnaphthalene-1-carboxylic acid

Description: The molecule is a member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 3 and 5 by hydroxy and methyl groups respectively. It has a role as a bacterial metabolite. It is a naphthoic acid and a member of naphthols. It is a conjugate acid of a 3-hydroxy-5-methyl-1-naphthoate.

SMILES: Cc1cccc2c(C(=O)O)cc(O)cc12

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

InChI: InChI=1S/C12H10O3/c1-7-3-2-4-9-10(7)5-8(13)6-11(9)12(14)15/h2-6,13H,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 2.7