![4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile structure](/static/products/1466/146653-57-8.webp)
4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile
TL;DR: 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile (CAS 146653-57-8) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3-methoxyphenyl)-2-oxoethyl]benzonitrile
Also Known As: 4-[2-(3-methoxyphenyl)-2-oxoethyl]benzonitrile, 4-[2- -2-OXOETHYL]BENZONITRILE, Benzonitrile,4-[2-(3-methoxyphenyl)-2-oxoethyl]-
Technical Specifications
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.09464 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | COC1=CC=CC(=C1)C(=O)CC2=CC=C(C=C2)C#N |
| InChIKey | IGSPHGYZXBYEMV-UHFFFAOYSA-N |
Chemical Property Profile of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile
Property Insights of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile has 0 hydrogen bond donor(s) and 3 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-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile?
The CAS number of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile is 146653-57-8.
What is the molecular formula of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile?
The molecular formula of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile is C16H13NO2.
What is the molecular weight of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile?
The molecular weight of 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile is 251.09464 g/mol.
Where can I buy 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile?
You can request a quote for 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[2-(3-Methoxyphenyl)-2-oxoethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.