Molecule ID: 255266

IUPAC Name: [3-(4-fluorophenyl)-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 methyl groups at positions 2, 2 and 4 and a 4-fluorophenyl group at position 3 respectively. It is a member of monofluorobenzenes, an acetate ester and a member of chromenes.

SMILES: CC(=O)Oc1ccc2c(c1)OC(C)(C)C(c1ccc(F)cc1)=C2C

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][C]

InChI: InChI=1S/C20H19FO3/c1-12-17-10-9-16(23-13(2)22)11-18(17)24-20(3,4)19(12)14-5-7-15(21)8-6-14/h5-11H,1-4H3

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 3.8