ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-2272 |
| Compound Name: | ethyl 3-{6-chloro-4-methyl-7-[(3-methylphenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 414.88 |
| Molecular Formula: | C23 H23 Cl O5 |
| Smiles: | CCOC(CCC1=C(C)c2cc(c(cc2OC1=O)OCc1cccc(C)c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1439 |
| logD: | 6.1439 |
| logSw: | -6.1301 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.633 |
| InChI Key: | XMHOIXFJTGZSCU-UHFFFAOYSA-N |