Molecule ID: 14412553

IUPAC Name: (2S)-2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one

Description: The molecule is a butanone that is the 2-methylbutanoyl derivative of phloroglucinol. It has a role as a metabolite. It is a benzenetriol and a butanone. It derives from a phloroglucinol.

SMILES: CC[C@H](C)C(=O)c1c(O)cc(O)cc1O

SELFIES: [C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O]

InChI: InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.5