4-butyl-6-chloro-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1702 |
| Compound Name: | 4-butyl-6-chloro-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 370.83 |
| Molecular Formula: | C21 H19 Cl O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2004 |
| logD: | 5.2004 |
| logSw: | -5.6336 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.207 |
| InChI Key: | HNIMNSPUHKLAJD-UHFFFAOYSA-N |