4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2127 |
| Compound Name: | 4-butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 370.83 |
| Molecular Formula: | C21 H19 Cl O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8768 |
| logD: | 4.8768 |
| logSw: | -4.9361 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.12 |
| InChI Key: | NRPGQSGLJNRKPL-UHFFFAOYSA-N |