Molecule ID: 11095820

IUPAC Name: 2,4-dihydroxy-3-methyl-6-(2-oxopropyl)benzaldehyde

Description: The molecule is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxopropyl groups, respectively. It has a role as an Aspergillus metabolite and an antibacterial agent. It is a dihydroxybenzaldehyde, a polyketide and a methyl ketone.

SMILES: CC(=O)Cc1cc(O)c(C)c(O)c1C=O

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

InChI: InChI=1S/C11H12O4/c1-6(13)3-8-4-10(14)7(2)11(15)9(8)5-12/h4-5,14-15H,3H2,1-2H3

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.2