2-(Phenoxymethyl)benzonitrile
TL;DR: 2-(Phenoxymethyl)benzonitrile (CAS 134457-15-1) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(phenoxymethyl)benzonitrile
Also Known As: 2-(phenoxymethyl)benzonitrile, Benzonitrile, 2-(phenoxymethyl)-, Benzonitrile,2-(phenoxymethyl)-, Benzonitrile,2-(phenoxymethyl), 2-(PHENOXYMETHYL)BENZONITRILE 97
Technical Specifications
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.08406 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 Da |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
| SMILES | C1=CC=C(C=C1)OCC2=CC=CC=C2C#N |
| InChIKey | RFZUYPHTPWGIJU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Phenoxymethyl)benzonitrile
Property Insights of 2-(Phenoxymethyl)benzonitrile
The XLogP value of 3.1 indicates that 2-(Phenoxymethyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(Phenoxymethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenoxymethyl)benzonitrile has 0 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 2-(Phenoxymethyl)benzonitrile?
The CAS number of 2-(Phenoxymethyl)benzonitrile is 134457-15-1.
What is the molecular formula of 2-(Phenoxymethyl)benzonitrile?
The molecular formula of 2-(Phenoxymethyl)benzonitrile is C14H11NO.
What is the molecular weight of 2-(Phenoxymethyl)benzonitrile?
The molecular weight of 2-(Phenoxymethyl)benzonitrile is 209.08406 g/mol.
Where can I buy 2-(Phenoxymethyl)benzonitrile?
You can request a quote for 2-(Phenoxymethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Phenoxymethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Phenoxymethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.