7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-ethyl-2H-1-benzopyran-2-one
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1097 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C19 H15 Cl O5 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.3571 |
| logD: | 4.3571 |
| logSw: | -4.5763 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.989 |
| InChI Key: | UYKQAWZLRKLTME-UHFFFAOYSA-N |