4-butyl-8-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-8-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one
4-butyl-8-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7815 |
| Compound Name: | 4-butyl-8-methyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-2-one |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C22 H21 F3 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2578 |
| logD: | 6.2578 |
| logSw: | -5.5897 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.6442 |
| InChI Key: | MJCKEYNIZGBEHF-UHFFFAOYSA-N |