2-(Octyloxy)benzonitrile
TL;DR: 2-(Octyloxy)benzonitrile (CAS 121554-14-1) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-octoxybenzonitrile
Also Known As: 2-(Octyloxy)benzonitrile, 2-octoxybenzonitrile, Benzonitrile,2-(octyloxy)-, 2-octyloxybenzonitrile, 2-Cyanophenyl octyl ether
Technical Specifications
| Molecular Formula | C15H21NO |
| Molecular Weight | 231.16231 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 231.16231 Da |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
| SMILES | CCCCCCCCOC1=CC=CC=C1C#N |
| InChIKey | FDYQEPJBEYRYSL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Octyloxy)benzonitrile
Property Insights of 2-(Octyloxy)benzonitrile
The XLogP value of 5.0 indicates that 2-(Octyloxy)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-(Octyloxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Octyloxy)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-(Octyloxy)benzonitrile?
The CAS number of 2-(Octyloxy)benzonitrile is 121554-14-1.
What is the molecular formula of 2-(Octyloxy)benzonitrile?
The molecular formula of 2-(Octyloxy)benzonitrile is C15H21NO.
What is the molecular weight of 2-(Octyloxy)benzonitrile?
The molecular weight of 2-(Octyloxy)benzonitrile is 231.16231 g/mol.
Where can I buy 2-(Octyloxy)benzonitrile?
You can request a quote for 2-(Octyloxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Octyloxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Octyloxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.