3-{4-[(6-bromohexyl)oxy]phenyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-{4-[(6-bromohexyl)oxy]phenyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
3-{4-[(6-bromohexyl)oxy]phenyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8020-9134 |
| Compound Name: | 3-{4-[(6-bromohexyl)oxy]phenyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one |
| Molecular Weight: | 445.35 |
| Molecular Formula: | C23 H25 Br O4 |
| Smiles: | C(CCC[Br])CCOc1ccc(/C=C/C(c2ccc3c(c2)OCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4364 |
| logD: | 5.4364 |
| logSw: | -5.834 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.455 |
| InChI Key: | BAHXCFONLFAIAA-UHFFFAOYSA-N |