3-hexyl-4-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one
3-hexyl-4-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4182-0797 |
| Compound Name: | 3-hexyl-4-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one |
| Molecular Weight: | 418.46 |
| Molecular Formula: | C24 H25 F3 O3 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.4077 |
| logD: | 7.4077 |
| logSw: | -5.7669 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.3876 |
| InChI Key: | JAXAPKLUAGWOFU-UHFFFAOYSA-N |