Molecule ID: 86289305

IUPAC Name: 4-[3-(4-hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate

Description: The molecule is a phenolate anion that is the conjugate base of 2'-O-methyllicodione, obtained by deprotonation of the phenolic hydroxy group at position 4; major species at pH 7.3. It is a conjugate base of a 2'-O-methyllicodione.

SMILES: COc1cc(O)ccc1C(=O)CC(=O)c1ccc([O-])cc1

SELFIES: [C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C16H14O5/c1-21-16-8-12(18)6-7-13(16)15(20)9-14(19)10-2-4-11(17)5-3-10/h2-8,17-18H,9H2,1H3/p-1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.0