butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5976-1693 |
| Compound Name: | butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C22 H21 Cl O6 |
| Smiles: | CCC(C)OC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9308 |
| logD: | 4.9308 |
| logSw: | -4.9654 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.761 |
| InChI Key: | WNSAZBBRNSHFBI-UHFFFAOYSA-N |