methyl {7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2525 |
| Compound Name: | methyl {7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 421.28 |
| Molecular Formula: | C21 H18 Cl2 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4351 |
| logD: | 5.4351 |
| logSw: | -5.9817 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.737 |
| InChI Key: | CYPWFMAWACXMQH-UHFFFAOYSA-N |