methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | 3330-4143 |
| Compound Name: | methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl}benzoate |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C19 H15 Cl O5 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5608 |
| logD: | 4.5608 |
| logSw: | -4.7215 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.134 |
| InChI Key: | NGPHTCWVTFWRGJ-UHFFFAOYSA-N |