3-(2-chloro-5-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(2-chloro-5-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
3-(2-chloro-5-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 4607-0545 |
| Compound Name: | 3-(2-chloro-5-methylanilino)-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 263.76 |
| Molecular Formula: | C15 H18 Cl N O |
| Smiles: | Cc1ccc(c(c1)NC1CC(C)(C)CC(C=1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.709 |
| logD: | 3.5403 |
| logSw: | -3.7107 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.5679 |
| InChI Key: | RCICOYCTOLSBRZ-UHFFFAOYSA-N |