3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile
TL;DR: 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile (CAS 101096-92-8) is a chemical compound with molecular formula C15H13NO and molecular weight 223.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxyphenyl)-2-phenylpropanenitrile
Also Known As: 3-(4-hydroxyphenyl)-2-phenylpropanenitrile, 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile, 2-Phenyl-3-(4-hydroxyphenyl)propiononitrile, 2-Phenyl-3-<4-hydroxy-phenyl>-propionitril, J1.661.495E
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13NO |
| Molecular Weight | 223.09972 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.09972 Da |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
| SMILES | C1=CC=C(C=C1)C(CC2=CC=C(C=C2)O)C#N |
| InChIKey | YDQYAHRIMRZGHV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile
Property Insights of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile
The XLogP value of 3.2 indicates that 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile 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-Hydroxy-phenyl)-2-phenyl-propionitrile?
The CAS number of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile is 101096-92-8.
What is the molecular formula of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile?
The molecular formula of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile is C15H13NO.
What is the molecular weight of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile?
The molecular weight of 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile is 223.09972 g/mol.
Where can I buy 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile?
You can request a quote for 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Hydroxy-phenyl)-2-phenyl-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.