3-Hydroxy-4-phenylpentanenitrile
TL;DR: 3-Hydroxy-4-phenylpentanenitrile (CAS 1467287-27-9) is a chemical compound with molecular formula C11H13NO and molecular weight 175.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4-phenylpentanenitrile
Also Known As: 3-Hydroxy-4-phenylpentanenitrile, Butane, 2-phenyl-3-hydroxy-4-cyano-, 3-Hydroxy-4-phenylpentanenitrile #
Technical Specifications
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.09972 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | CC(C1=CC=CC=C1)C(CC#N)O |
| InChIKey | KCNROOMSGXVFQX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-4-phenylpentanenitrile
Property Insights of 3-Hydroxy-4-phenylpentanenitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-phenylpentanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Hydroxy-4-phenylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4-phenylpentanenitrile 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-Hydroxy-4-phenylpentanenitrile?
The CAS number of 3-Hydroxy-4-phenylpentanenitrile is 1467287-27-9.
What is the molecular formula of 3-Hydroxy-4-phenylpentanenitrile?
The molecular formula of 3-Hydroxy-4-phenylpentanenitrile is C11H13NO.
What is the molecular weight of 3-Hydroxy-4-phenylpentanenitrile?
The molecular weight of 3-Hydroxy-4-phenylpentanenitrile is 175.09972 g/mol.
Where can I buy 3-Hydroxy-4-phenylpentanenitrile?
You can request a quote for 3-Hydroxy-4-phenylpentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-4-phenylpentanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-4-phenylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.