4-Hydroxy-2-methylbenzonitrile
TL;DR: 4-Hydroxy-2-methylbenzonitrile (CAS 14143-26-1) is a chemical compound with molecular formula C8H7NO and molecular weight 133.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-2-methylbenzonitrile
Also Known As: 4-hydroxy-2-methylbenzonitrile, 4-CYANO-3-METHYLPHENOL, BENZONITRILE, 4-HYDROXY-2-METHYL-, 4-Hydroxy-2-methyl-benzonitrile, 4-hydroxy-2-methylbenzo nitrile
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.05276 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.05276 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | CC1=C(C=CC(=C1)O)C#N |
| InChIKey | PNQUZYVEQUGPPO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-2-methylbenzonitrile
Property Insights of 4-Hydroxy-2-methylbenzonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-methylbenzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 4-Hydroxy-2-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2-methylbenzonitrile 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 4-Hydroxy-2-methylbenzonitrile?
The CAS number of 4-Hydroxy-2-methylbenzonitrile is 14143-26-1.
What is the molecular formula of 4-Hydroxy-2-methylbenzonitrile?
The molecular formula of 4-Hydroxy-2-methylbenzonitrile is C8H7NO.
What is the molecular weight of 4-Hydroxy-2-methylbenzonitrile?
The molecular weight of 4-Hydroxy-2-methylbenzonitrile is 133.05276 g/mol.
Where can I buy 4-Hydroxy-2-methylbenzonitrile?
You can request a quote for 4-Hydroxy-2-methylbenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-2-methylbenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-2-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.