methyl {7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-4226 |
| Compound Name: | methyl {7-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-4,8-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)Oc2c1ccc(c2C)OCC(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0007 |
| logD: | 5.0007 |
| logSw: | -5.1116 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.984 |
| InChI Key: | MCGCYKFSMKBMIH-UHFFFAOYSA-N |