methyl [7-(benzyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [7-(benzyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
methyl [7-(benzyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-2321 |
| Compound Name: | methyl [7-(benzyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 372.8 |
| Molecular Formula: | C20 H17 Cl O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5591 |
| logD: | 4.5591 |
| logSw: | -4.8057 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.053 |
| InChI Key: | VQADJFZPGLXJQD-UHFFFAOYSA-N |