3-(4-Hydroxyphenyl)benzonitrile
TL;DR: 3-(4-Hydroxyphenyl)benzonitrile (CAS 154848-44-9) is a chemical compound with molecular formula C13H9NO and molecular weight 195.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxyphenyl)benzonitrile
Also Known As: 3-(4-Hydroxyphenyl)benzonitrile, 4'-Hydroxy-[1,1'-biphenyl]-3-carbonitrile, 4'-Hydroxybiphenyl-3-carbonitrile, 4-(3-CYANOPHENYL)PHENOL, 3'-Cyanobiphenyl-4-ol
Technical Specifications
| Molecular Formula | C13H9NO |
| Molecular Weight | 195.06842 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.06842 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | C1=CC(=CC(=C1)C2=CC=C(C=C2)O)C#N |
| InChIKey | DTNKYIRPORWHHR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Hydroxyphenyl)benzonitrile
Property Insights of 3-(4-Hydroxyphenyl)benzonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxyphenyl)benzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-(4-Hydroxyphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Hydroxyphenyl)benzonitrile 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 3-(4-Hydroxyphenyl)benzonitrile?
The CAS number of 3-(4-Hydroxyphenyl)benzonitrile is 154848-44-9.
What is the molecular formula of 3-(4-Hydroxyphenyl)benzonitrile?
The molecular formula of 3-(4-Hydroxyphenyl)benzonitrile is C13H9NO.
What is the molecular weight of 3-(4-Hydroxyphenyl)benzonitrile?
The molecular weight of 3-(4-Hydroxyphenyl)benzonitrile is 195.06842 g/mol.
Where can I buy 3-(4-Hydroxyphenyl)benzonitrile?
You can request a quote for 3-(4-Hydroxyphenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Hydroxyphenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Hydroxyphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.