Molecule ID: 86289606

IUPAC Name: 3-methoxy-5-methylnaphthalene-1-carboxylate

Description: The molecule is a naphthoate that is the conjugate base of 3-methoxy-5-methyl-1-naphthoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-methoxy-5-methyl-1-naphthoic acid.

SMILES: COc1cc(C(=O)[O-])c2cccc(C)c2c1

SELFIES: [C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=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)/p-1

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 3.7