7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-ethyl-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-ethyl-4-methyl-2H-1-benzopyran-2-one
7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-ethyl-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0650 |
| Compound Name: | 7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-3-ethyl-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 372.8 |
| Molecular Formula: | C20 H17 Cl O5 |
| Smiles: | CCC1=C(C)c2ccc(cc2OC1=O)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.8765 |
| logD: | 4.8765 |
| logSw: | -4.9075 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.503 |
| InChI Key: | TXCWGLXYCXZDLJ-UHFFFAOYSA-N |