methyl 4-{[(6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-1739 |
| Compound Name: | methyl 4-{[(6-chloro-3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 372.8 |
| Molecular Formula: | C20 H17 Cl O5 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OCc1ccc(cc1)C(=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1489 |
| logD: | 5.1489 |
| logSw: | -5.4779 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.648 |
| InChI Key: | PTQMQOQZLVCBOV-UHFFFAOYSA-N |