6-chloro-7-(2-oxo-2-phenylethoxy)-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-(2-oxo-2-phenylethoxy)-4-propyl-2H-1-benzopyran-2-one
6-chloro-7-(2-oxo-2-phenylethoxy)-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0105 |
| Compound Name: | 6-chloro-7-(2-oxo-2-phenylethoxy)-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 356.8 |
| Molecular Formula: | C20 H17 Cl O4 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7202 |
| logD: | 4.7202 |
| logSw: | -4.9374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.207 |
| InChI Key: | QTISGZJXEORXNA-UHFFFAOYSA-N |