Molecule ID: 185208

IUPAC Name: 2-[2-(4-methoxyphenyl)ethyl]chromen-4-one

Description: The molecule is a member of the class of chromones that is chromone which is substituted by a 2-(4-methoxyphenyl)ethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood from trees of the genus Aquilaria. It has a role as a plant metabolite. It is a member of chromones and a monomethoxybenzene. It derives from a chromone.

SMILES: COc1ccc(CCc2cc(=O)c3ccccc3o2)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C18H16O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-7,9-10,12H,8,11H2,1H3

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 4.1