3-(2,4-dimethoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-(2,4-dimethoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
3-(2,4-dimethoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 4607-0557 |
| Compound Name: | 3-(2,4-dimethoxyanilino)-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 275.35 |
| Molecular Formula: | C16 H21 N O3 |
| Smiles: | CC1(C)CC(=CC(C1)=O)Nc1ccc(cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0127 |
| logD: | 2.7789 |
| logSw: | -3.3723 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.742 |
| InChI Key: | YKQSVVIOSDSRFH-UHFFFAOYSA-N |