2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
Chemical Structure Depiction of
2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one
Compound characteristics
| Compound ID: | 8008-5658 |
| Compound Name: | 2,4-diacetyl-3-(4-bromophenyl)-5-hydroxy-5-methylcyclohexan-1-one |
| Molecular Weight: | 367.24 |
| Molecular Formula: | C17 H19 Br O4 |
| Smiles: | CC(C1C(C(C(C)=O)C(C)(CC1=O)O)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3114 |
| logD: | 1.5002 |
| logSw: | -2.2934 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.386 |
| InChI Key: | RAHYDEYNMNOBFR-UHFFFAOYSA-N |