2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dimethoxyphenyl)ethan-1-one
2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8019-4050 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 316.31 |
| Molecular Formula: | C17 H16 O6 |
| Smiles: | COc1ccc(cc1OC)C(COc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6127 |
| logD: | 2.6127 |
| logSw: | -2.8189 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.089 |
| InChI Key: | XKLFLFYBUKOROI-UHFFFAOYSA-N |