Molecule ID: 44389277

IUPAC Name: 5-[(3,4,5-trihydroxyphenyl)methyl]oxolan-2-one

Description: The molecule is a butan-4-olide that is gamma-valerolactone in which one of the methyl hydrogens has been replaced by a 3,4,5-trihydroxyphenyl group. It has a role as a human urinary metabolite. It is a butan-4-olide and a benzenetriol. It derives from a gamma-valerolactone.

SMILES: O=C1CCC(Cc2cc(O)c(O)c(O)c2)O1

SELFIES: [O][=C][C][C][C][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][O][Ring1][#C]

InChI: InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 1.1