2~4~-acetyl-2~5~-hydroxy-2~5~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile
Chemical Structure Depiction of
2~4~-acetyl-2~5~-hydroxy-2~5~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile
2~4~-acetyl-2~5~-hydroxy-2~5~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-5115 |
| Compound Name: | 2~4~-acetyl-2~5~-hydroxy-2~5~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~,2~2~(2~1~H)-dicarbonitrile |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C23 H22 N2 O2 |
| Smiles: | CC(C1C(c2ccccc2)C(C#N)(C#N)C(CC1(C)O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7279 |
| logD: | 3.7279 |
| logSw: | -3.9428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.152 |
| InChI Key: | KKHGJDYWHZQWDQ-UHFFFAOYSA-N |