4-(3-Methoxyphenyl)benzonitrile
TL;DR: 4-(3-Methoxyphenyl)benzonitrile (CAS 154848-39-2) 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.
4-(3-methoxyphenyl)benzonitrile
Also Known As: 4-(3-methoxyphenyl)benzonitrile, 3'-Methoxy-[1,1'-biphenyl]-4-carbonitrile, 3'-Methoxy[1,1'-biphenyl]-4-carbonitrile, 3 -Methoxybiphenyl-4-carbonitrile, 7779AA
Technical Specifications
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.08406 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.08406 Da |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
| SMILES | COC1=CC=CC(=C1)C2=CC=C(C=C2)C#N |
| InChIKey | GXHPEFDYNQSANO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Methoxyphenyl)benzonitrile
Property Insights of 4-(3-Methoxyphenyl)benzonitrile
The XLogP value of 3.2 indicates that 4-(3-Methoxyphenyl)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, 4-(3-Methoxyphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methoxyphenyl)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 4-(3-Methoxyphenyl)benzonitrile?
The CAS number of 4-(3-Methoxyphenyl)benzonitrile is 154848-39-2.
What is the molecular formula of 4-(3-Methoxyphenyl)benzonitrile?
The molecular formula of 4-(3-Methoxyphenyl)benzonitrile is C14H11NO.
What is the molecular weight of 4-(3-Methoxyphenyl)benzonitrile?
The molecular weight of 4-(3-Methoxyphenyl)benzonitrile is 209.08406 g/mol.
Where can I buy 4-(3-Methoxyphenyl)benzonitrile?
You can request a quote for 4-(3-Methoxyphenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Methoxyphenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3-Methoxyphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.