methyl 4-({[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | 5976-1763 |
| Compound Name: | methyl 4-({[3-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C24 H17 Cl O5 |
| Smiles: | COC(c1ccc(COc2ccc3C(C(=COc3c2)c2ccc(cc2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2047 |
| logD: | 5.2047 |
| logSw: | -5.6255 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.262 |
| InChI Key: | MIBGNZNOBIZRDK-UHFFFAOYSA-N |