Molecule ID: 10659145

IUPAC Name: 8-(3-hydroxy-3-methylbutyl)-7-methoxychromen-2-one

Description: The molecule is a member of the class of coumarins carrying methoxy and 3-hydroxy-3-methylbutyl substituents at positions 7 and 8 respectively. It has a role as a plant metabolite. It is a member of coumarins, an aromatic ether and a tertiary alcohol.

SMILES: COc1ccc2ccc(=O)oc2c1CCC(C)(C)O

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

InChI: InChI=1S/C15H18O4/c1-15(2,17)9-8-11-12(18-3)6-4-10-5-7-13(16)19-14(10)11/h4-7,17H,8-9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.4