Hydroxy(4-methylphenyl)acetonitrile
TL;DR: Hydroxy(4-methylphenyl)acetonitrile (CAS 10017-04-6) is a chemical compound with molecular formula C9H9NO and molecular weight 147.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(4-methylphenyl)acetonitrile
Also Known As: hydroxy(4-methylphenyl)acetonitrile, 4-methylmandel-onitrile, 2-hydroxy-2-(4-methylphenyl)acetonitrile, (R)-(+)-4-Methylmandelonitrile, 2-Hydroxy-2-(p-tolyl)acetonitrile
Technical Specifications
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.06842 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 Da |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| SMILES | CC1=CC=C(C=C1)C(C#N)O |
| InChIKey | KKGXJLAWLSJRGK-UHFFFAOYSA-N |
Chemical Property Profile of Hydroxy(4-methylphenyl)acetonitrile
Property Insights of Hydroxy(4-methylphenyl)acetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxy(4-methylphenyl)acetonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, Hydroxy(4-methylphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxy(4-methylphenyl)acetonitrile 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 Hydroxy(4-methylphenyl)acetonitrile?
The CAS number of Hydroxy(4-methylphenyl)acetonitrile is 10017-04-6.
What is the molecular formula of Hydroxy(4-methylphenyl)acetonitrile?
The molecular formula of Hydroxy(4-methylphenyl)acetonitrile is C9H9NO.
What is the molecular weight of Hydroxy(4-methylphenyl)acetonitrile?
The molecular weight of Hydroxy(4-methylphenyl)acetonitrile is 147.06842 g/mol.
Where can I buy Hydroxy(4-methylphenyl)acetonitrile?
You can request a quote for Hydroxy(4-methylphenyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydroxy(4-methylphenyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for Hydroxy(4-methylphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.