Molecule ID: 251624

IUPAC Name: [3-(4-methoxyphenyl)-2,2,4-trimethylchromen-7-yl] acetate

Description: The molecule is a member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted by a methyl groups at positions 2, 2 and 4 and a 4-methoxyphenyl group at position 3 respectively. It is an acetate ester, a member of chromenes and a monomethoxybenzene.

SMILES: COc1ccc(C2=C(C)c3ccc(OC(C)=O)cc3OC2(C)C)cc1

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

InChI: InChI=1S/C21H22O4/c1-13-18-11-10-17(24-14(2)22)12-19(18)25-21(3,4)20(13)15-6-8-16(23-5)9-7-15/h6-12H,1-5H3

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 3.7