4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-3988 |
| Compound Name: | 4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C19 H20 N2 O2 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7942 |
| logD: | -0.1067 |
| logSw: | -2.8819 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.595 |
| InChI Key: | QRKCFEJZUBAHNX-QGZVFWFLSA-N |