Molecule ID: 16547

IUPAC Name: 1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone

Description: The molecule is a benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. It has a role as a bacterial metabolite and an antifungal agent. It is a diketone, an aromatic ketone, a methyl ketone and a benzenetriol. It derives from a phloroglucinol. It is a conjugate acid of a 2,4-diacetylphloroglucinol(1-).

SMILES: CC(=O)c1c(O)cc(O)c(C(C)=O)c1O

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

InChI: InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 1.3