![2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile structure](/static/products/6781/678147-97-2.webp)
2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile
TL;DR: 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile (CAS 678147-97-2) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzonitrile
Also Known As: 2-{[4-(hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile, 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzonitrile
| Molecular Formula | C16H15NO3 |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.63818 |
| Topological Polar Surface Area | 62.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 |
| Heavy Atoms | 20 |
| Complexity | 631.8594 |
Chemical Identifiers
| CAS Number | 678147-97-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2C#N |
Product Overview
2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile (CAS 678147-97-2), with molecular formula C16H15NO3 and molecular weight 269.11 g/mol. IUPAC: 2-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile
Property Insights of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile
The XLogP value of 2.63818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile. The TPSA of 62.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile. Following Lipinski's Rule of Five, 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile has 1 hydrogen bond donor(s) and 4 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 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile?
The CAS number of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile is 678147-97-2.
What is the molecular formula of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile?
The molecular formula of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile is C16H15NO3.
What is the molecular weight of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile?
The molecular weight of 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile is 269.11 g/mol.
Where can I buy 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile?
You can request a quote for 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Hydroxymethyl)-2-methoxyphenoxy]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.