3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8020-0460 |
| Compound Name: | 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one |
| Molecular Weight: | 330.31 |
| Molecular Formula: | C18 H15 F O5 |
| Smiles: | COc1c(/C=C/C(c2ccc(cc2)F)=O)cc2c(c1OC)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.4462 |
| logD: | 3.4462 |
| logSw: | -3.5691 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.448 |
| InChI Key: | JHZCDBATQCAPPM-UHFFFAOYSA-N |