4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1714 |
| Compound Name: | 4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C21 H21 Cl O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.9972 |
| logD: | 5.9972 |
| logSw: | -6.1221 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.504 |
| InChI Key: | PGSUPBKOCCQEOG-UHFFFAOYSA-N |