4-butyl-6-chloro-7-[(4-fluorophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(4-fluorophenyl)methoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(4-fluorophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7600 |
| Compound Name: | 4-butyl-6-chloro-7-[(4-fluorophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 360.81 |
| Molecular Formula: | C20 H18 Cl F O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.921 |
| logD: | 5.921 |
| logSw: | -6.0562 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.9599 |
| InChI Key: | VXTDIKASPIISGI-UHFFFAOYSA-N |