3-[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione
Chemical Structure Depiction of
3-[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione
3-[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione
Compound characteristics
| Compound ID: | 4605-0235 |
| Compound Name: | 3-[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]-6-(4-bromophenyl)-3,5,5-trimethyloxane-2,4-dione |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C28 H25 Br O4 |
| Smiles: | CC1(C)C(c2ccc(cc2)[Br])OC(C(C)(CC(c2ccc(cc2)c2ccccc2)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8319 |
| logD: | 6.8319 |
| logSw: | -6.1331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.529 |
| InChI Key: | IOUQGBHRSMRBHW-UHFFFAOYSA-N |