2-[(4-bromophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(4-bromophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(4-bromophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
Compound ID: | 8004-0687 |
Compound Name: | 2-[(4-bromophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
Molecular Weight: | 447.37 |
Molecular Formula: | C23 H27 Br O4 |
Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2ccc(cc2)[Br])C(C1)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.709 |
logD: | 1.3759 |
logSw: | -3.9667 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.001 |
InChI Key: | NAVBTWPITMDHNM-LJQANCHMSA-N |