4-(1-Hydroxyethyl)benzonitrile
TL;DR: 4-(1-Hydroxyethyl)benzonitrile (CAS 101219-71-0) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-hydroxyethyl)benzonitrile
Also Known As: 4-(1-Hydroxyethyl)benzonitrile, 1-(4-Cyanophenyl)ethanol, Benzonitrile, 4-(1-hydroxyethyl)- (9CI), 4-(1-hydroxyethyl)-benzonitrile, p-(1-Hydroxyethyl)benzonitrile
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 101219-71-0 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)C#N)O |
| InChIKey | XGAVOODMMBMCKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Hydroxyethyl)benzonitrile (CAS 101219-71-0), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 4-(1-hydroxyethyl)benzonitrile.
Chemical Property Profile of 4-(1-Hydroxyethyl)benzonitrile
Property Insights of 4-(1-Hydroxyethyl)benzonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Hydroxyethyl)benzonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 4-(1-Hydroxyethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Hydroxyethyl)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
Frequently Asked Questions
What is the CAS number of 4-(1-Hydroxyethyl)benzonitrile?
The CAS number of 4-(1-Hydroxyethyl)benzonitrile is 101219-71-0.
What is the molecular formula of 4-(1-Hydroxyethyl)benzonitrile?
The molecular formula of 4-(1-Hydroxyethyl)benzonitrile is C9H9NO.
What is the molecular weight of 4-(1-Hydroxyethyl)benzonitrile?
The molecular weight of 4-(1-Hydroxyethyl)benzonitrile is 147.07 g/mol.
Where can I buy 4-(1-Hydroxyethyl)benzonitrile?
You can request a quote for 4-(1-Hydroxyethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Hydroxyethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Hydroxyethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.