3-[2-(4-bromophenyl)-2-oxoethyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione
3-[2-(4-bromophenyl)-2-oxoethyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione
Compound characteristics
| Compound ID: | 4605-0209 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethyl]-3,5,5-trimethyl-6-phenyloxane-2,4-dione |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C22 H21 Br O4 |
| Smiles: | CC1(C)C(c2ccccc2)OC(C(C)(CC(c2ccc(cc2)[Br])=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1175 |
| logD: | 5.1175 |
| logSw: | -5.156 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.8 |
| InChI Key: | BPBIGKXXPPRDGP-UHFFFAOYSA-N |