7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2H-1-benzopyran-2-one
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0383 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 344.75 |
| Molecular Formula: | C18 H13 Cl O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.9508 |
| logD: | 3.9508 |
| logSw: | -4.3198 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.989 |
| InChI Key: | GVJBSEBDYOCFPA-UHFFFAOYSA-N |