5-chloro-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile
Chemical Structure Depiction of
5-chloro-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile
5-chloro-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile
Compound characteristics
| Compound ID: | 0167-0027 |
| Compound Name: | 5-chloro-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile |
| Molecular Weight: | 295.81 |
| Molecular Formula: | C16 H22 Cl N O2 |
| Smiles: | CC(C)C(CCC[Cl])(C#N)c1ccc(c(c1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8814 |
| logD: | 3.8814 |
| logSw: | -4.1001 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 32.556 |
| InChI Key: | VDQLTWSIHIWIFQ-INIZCTEOSA-N |