methyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
methyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
methyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 4593-1484 |
| Compound Name: | methyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 402.83 |
| Molecular Formula: | C21 H19 Cl O6 |
| Smiles: | CC(C(=O)OC)Oc1ccc2C(C(=COc2c1)Oc1cc(C)c(c(C)c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5698 |
| logD: | 4.5698 |
| logSw: | -4.7891 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.533 |
| InChI Key: | XMNGKWSYEAYTHY-ZDUSSCGKSA-N |