Molecule ID: 15697909

IUPAC Name: 3,3-dimethoxy-1-phenylpropane-1,2-dione

Description: The molecule is an alpha-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3. It has a role as a metabolite. It is an alpha-diketone, an aromatic ketone and an ether.

SMILES: COC(OC)C(=O)C(=O)c1ccccc1

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

InChI: InChI=1S/C11H12O4/c1-14-11(15-2)10(13)9(12)8-6-4-3-5-7-8/h3-7,11H,1-2H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 1.1