1-(2-bromo-4,5-dimethoxyphenyl)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2-bromo-4,5-dimethoxyphenyl)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
1-(2-bromo-4,5-dimethoxyphenyl)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8020-8382 |
| Compound Name: | 1-(2-bromo-4,5-dimethoxyphenyl)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 451.27 |
| Molecular Formula: | C20 H19 Br O7 |
| Smiles: | COc1cc(C(/C=C/c2cc3c(c(c2OC)OC)OCO3)=O)c(cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9677 |
| logD: | 3.9677 |
| logSw: | -4.1598 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.708 |
| InChI Key: | FGSXONGUPRNJCY-UHFFFAOYSA-N |