3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile
TL;DR: 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile (CAS 134836-78-5) 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.
3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile
Also Known As: NCI60_012901, 3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile, 2-METHOXY-ALPHA-PHENYLCINNAMONITRILE
Technical Specifications
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.09972 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | COC1=CC=CC=C1C=C(C#N)C2=CC=CC=C2 |
| InChIKey | DHHRPBSETDXPFV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile
Property Insights of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile
The XLogP value of 3.5 indicates that 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile 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 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile?
The CAS number of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile is 134836-78-5.
What is the molecular formula of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile?
The molecular formula of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile is C16H13NO.
What is the molecular weight of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile?
The molecular weight of 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile is 235.09972 g/mol.
Where can I buy 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile?
You can request a quote for 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methoxyphenyl)-2-phenylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.