Molecule ID: 11085203

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

Description: The molecule is a naphthoic acid that is 1-naphthoic acid carrying additional methoxy and methyl substituents at positions 3 and 5 respectively. It has a role as a bacterial metabolite. It is a naphthoic acid and an aromatic ether. It is a conjugate acid of a 3-methoxy-5-methyl-1-naphthoate.

SMILES: COc1cc(C(=O)O)c2cccc(C)c2c1

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

InChI: InChI=1S/C13H12O3/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.0