4-(4-Prop-2-enoxyphenyl)benzonitrile
TL;DR: 4-(4-Prop-2-enoxyphenyl)benzonitrile (CAS 111928-38-2) is a chemical compound with molecular formula C16H13NO and molecular weight 235.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-prop-2-enoxyphenyl)benzonitrile
Also Known As: 4-(4-prop-2-enoxyphenyl)benzonitrile, 4-allyloxy-4'-cyanobiphenyl, 4`-Allyloxy-biphenyl-4-carbonitrile, 4-allyloxy-4'cyanobiphenyl, 4-(4-Allyloxyphenyl)benzonitrile
Technical Specifications
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.09972 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.09972 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | C=CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N |
| InChIKey | DDEVUZALIPWLKN-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Prop-2-enoxyphenyl)benzonitrile
Property Insights of 4-(4-Prop-2-enoxyphenyl)benzonitrile
The XLogP value of 3.9 indicates that 4-(4-Prop-2-enoxyphenyl)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-(4-Prop-2-enoxyphenyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Prop-2-enoxyphenyl)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-(4-Prop-2-enoxyphenyl)benzonitrile?
The CAS number of 4-(4-Prop-2-enoxyphenyl)benzonitrile is 111928-38-2.
What is the molecular formula of 4-(4-Prop-2-enoxyphenyl)benzonitrile?
The molecular formula of 4-(4-Prop-2-enoxyphenyl)benzonitrile is C16H13NO.
What is the molecular weight of 4-(4-Prop-2-enoxyphenyl)benzonitrile?
The molecular weight of 4-(4-Prop-2-enoxyphenyl)benzonitrile is 235.09972 g/mol.
Where can I buy 4-(4-Prop-2-enoxyphenyl)benzonitrile?
You can request a quote for 4-(4-Prop-2-enoxyphenyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Prop-2-enoxyphenyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-Prop-2-enoxyphenyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.