propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 4593-1486 |
| Compound Name: | propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 402.83 |
| Molecular Formula: | C21 H19 Cl O6 |
| Smiles: | CCCOC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4304 |
| logD: | 4.4304 |
| logSw: | -4.6091 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.493 |
| InChI Key: | HUSJXKIRCQKYTP-ZDUSSCGKSA-N |