Molecule ID: 5318268

IUPAC Name: 7-hydroxy-4-methoxy-5-methylchromen-2-one

Description: The molecule is a member of the class of hydroxycoumarins that is coumarin which is substituted by methoxy, methyl, and hydroxy groups at positions 4, 5 and 7, respectively. It has a role as a fungal metabolite. It is an aromatic ether and a hydroxycoumarin. It derives from a 4,7-dihydroxy-5-methylcoumarin.

SMILES: COc1cc(=O)oc2cc(O)cc(C)c12

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

InChI: InChI=1S/C11H10O4/c1-6-3-7(12)4-9-11(6)8(14-2)5-10(13)15-9/h3-5,12H,1-2H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.6