methyl {5-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {5-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-3511 |
| Compound Name: | methyl {5-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,7-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 449.29 |
| Molecular Formula: | C22 H18 Cl2 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(C)cc(c12)OCC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1893 |
| logD: | 5.1893 |
| logSw: | -5.9822 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.3 |
| InChI Key: | IQIOUGXWRPOURL-UHFFFAOYSA-N |