Molecule ID: 10944306

IUPAC Name: 2-hydroxy-7-methoxy-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 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively. It has a role as a bacterial metabolite. It is a naphthoic acid, a member of naphthols and a methoxynaphthalene.

SMILES: COc1cc(C)c2ccc(O)c(C(=O)O)c2c1

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

InChI: InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.2