3-(3-chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(3-chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
3-(3-chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 4169-2381 |
| Compound Name: | 3-(3-chloro-4-methylanilino)-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 263.76 |
| Molecular Formula: | C15 H18 Cl N O |
| Smiles: | Cc1ccc(cc1[Cl])NC1CC(C)(C)CC(C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3982 |
| logD: | 4.1098 |
| logSw: | -4.3516 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.2657 |
| InChI Key: | LEGBHXGPDYDBEO-UHFFFAOYSA-N |