2-Hydroxycyclohexanecarbonitrile
TL;DR: 2-Hydroxycyclohexanecarbonitrile (CAS 125356-62-9) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxycyclohexane-1-carbonitrile
Also Known As: 2-Hydroxycyclohexanecarbonitrile, 2-hydroxycyclohexane-1-carbonitrile, 2-Hydroxybenzonitrile, trans-2-Cyano-1-cyclohexanol, 2-hydroxycyclohexanenitrile
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.08406 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.08406 Da |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
| SMILES | C1CCC(C(C1)C#N)O |
| InChIKey | MFPCXQNVYPKUSM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxycyclohexanecarbonitrile
Property Insights of 2-Hydroxycyclohexanecarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxycyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-Hydroxycyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxycyclohexanecarbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxycyclohexanecarbonitrile?
The CAS number of 2-Hydroxycyclohexanecarbonitrile is 125356-62-9.
What is the molecular formula of 2-Hydroxycyclohexanecarbonitrile?
The molecular formula of 2-Hydroxycyclohexanecarbonitrile is C7H11NO.
What is the molecular weight of 2-Hydroxycyclohexanecarbonitrile?
The molecular weight of 2-Hydroxycyclohexanecarbonitrile is 125.08406 g/mol.
Where can I buy 2-Hydroxycyclohexanecarbonitrile?
You can request a quote for 2-Hydroxycyclohexanecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxycyclohexanecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxycyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.