propyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
propyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
propyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
| Compound ID: | 4593-1613 |
| Compound Name: | propyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C24 H25 Cl O6 |
| Smiles: | CCCOC(C(CC)Oc1ccc2C(C(=COc2c1)Oc1cc(C)c(c(C)c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2201 |
| logD: | 6.2201 |
| logSw: | -6.2812 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.29 |
| InChI Key: | VQRSPSZUSHSPMN-IBGZPJMESA-N |