Molecule ID: 69301

IUPAC Name: 1,3,5-trimethoxybenzene

Description: The molecule is a methoxybenzene carrying methoxy groups at positions 1, 3 and 5. It has been found to be a biomarker of flavonoid consumption in humans. It has a role as a biomarker and a human xenobiotic metabolite.

SMILES: COc1cc(OC)cc(OC)c1

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

InChI: InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3

Molecular Properties:
- Polar Surface Area: 27.7 Ų
- LogP: 2.0