4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile
TL;DR: 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile (CAS 1016691-02-3) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile
Also Known As: 4-(5-formyl-2-methoxyphenoxymethyl)benzonitrile, 4-[(5-formyl-2-methoxyphenoxy)methyl]benzonitrile, 4-((5-Formyl-2-methoxyphenoxy)methyl)benzonitrile, 4-[(5-formyl-2-methoxy-phenoxy)methyl]benzonitrile
Technical Specifications
| Molecular Formula | C16H13NO3 |
| Molecular Weight | 267.08954 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.08954 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | COC1=C(C=C(C=C1)C=O)OCC2=CC=C(C=C2)C#N |
| InChIKey | UWAJAOXRVPVQNJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile
Property Insights of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile. With a topological polar surface area (TPSA) of 59.3 Ų, 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile has 0 hydrogen bond donor(s) and 4 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-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile?
The CAS number of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile is 1016691-02-3.
What is the molecular formula of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile?
The molecular formula of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile is C16H13NO3.
What is the molecular weight of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile?
The molecular weight of 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile is 267.08954 g/mol.
Where can I buy 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile?
You can request a quote for 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(5-Formyl-2-methoxyphenoxymethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.