methyl {6-chloro-4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2332 |
| Compound Name: | methyl {6-chloro-4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C21 H19 Cl O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9825 |
| logD: | 4.9825 |
| logSw: | -5.1183 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.053 |
| InChI Key: | JMLLWRLSNJVUFD-UHFFFAOYSA-N |