4-(4-Hydroxyphenoxy)benzonitrile
TL;DR: 4-(4-Hydroxyphenoxy)benzonitrile (CAS 63555-08-8) is a chemical compound with molecular formula C13H9NO2 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxyphenoxy)benzonitrile
Also Known As: 4-(4-hydroxyphenoxy)benzonitrile, 4-(4-Cyanophenoxy)phenol, 4-(4-cyanophenoxy)-phenol, Benzonitrile, 4-(4-hydroxyphenoxy)-, 4-(4-Hydroxy-phenoxy)-benzonitrile
| Molecular Formula | C13H9NO2 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 3.05618 |
| Topological Polar Surface Area | 53.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.06332 |
| Heavy Atoms | 16 |
| Complexity | 509.12402 |
Chemical Identifiers
| CAS Number | 63555-08-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)O |
Product Overview
4-(4-Hydroxyphenoxy)benzonitrile (CAS 63555-08-8), with molecular formula C13H9NO2 and molecular weight 211.06 g/mol. IUPAC: 4-(4-hydroxyphenoxy)benzonitrile.
Chemical Property Profile of 4-(4-Hydroxyphenoxy)benzonitrile
Property Insights of 4-(4-Hydroxyphenoxy)benzonitrile
The XLogP value of 3.05618 indicates that 4-(4-Hydroxyphenoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.25 Ų, 4-(4-Hydroxyphenoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Hydroxyphenoxy)benzonitrile has 1 hydrogen bond donor(s) and 3 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-(4-Hydroxyphenoxy)benzonitrile?
The CAS number of 4-(4-Hydroxyphenoxy)benzonitrile is 63555-08-8.
What is the molecular formula of 4-(4-Hydroxyphenoxy)benzonitrile?
The molecular formula of 4-(4-Hydroxyphenoxy)benzonitrile is C13H9NO2.
What is the molecular weight of 4-(4-Hydroxyphenoxy)benzonitrile?
The molecular weight of 4-(4-Hydroxyphenoxy)benzonitrile is 211.06 g/mol.
Where can I buy 4-(4-Hydroxyphenoxy)benzonitrile?
You can request a quote for 4-(4-Hydroxyphenoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Hydroxyphenoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Hydroxyphenoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.