3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-chlorobenzoate
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-chlorobenzoate
3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-chlorobenzoate
Compound characteristics
| Compound ID: | 4358-3711 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 3-chlorobenzoate |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C24 H17 Cl O5 |
| Smiles: | Cc1ccc(C)c(c1)OC1=COc2cc(ccc2C1=O)OC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7559 |
| logD: | 5.7559 |
| logSw: | -5.9053 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.034 |
| InChI Key: | MDKIOPWZWPIYOG-UHFFFAOYSA-N |