2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | Y508-1086 |
| Compound Name: | 2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C23 H26 Cl N O6 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cc(ccc2[Cl])[N+]([O-])=O)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5172 |
| logD: | 1.1841 |
| logSw: | -3.682 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.382 |
| InChI Key: | DBPFAJNWKCOZOA-LJQANCHMSA-N |