Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-
TL;DR: Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- (CAS 117238-55-8) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-benzofuran-2-yl(hydroxy)methyl]benzonitrile
Also Known As: 4-(2-Benzofuranylhydroxymethyl)benzonitrile, Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-, 4-[1-benzofuran-2-yl(hydroxy)methyl]benzonitrile, 4-[(1-Benzofuran-2-yl)(hydroxy)methyl]benzonitrile
Technical Specifications
| Molecular Formula | C16H11NO2 |
| Molecular Weight | 249.07898 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07898 Da |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)C#N)O |
| InChIKey | MROLIVLEGPGQPG-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-
Property Insights of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-. With a topological polar surface area (TPSA) of 57.2 Ų, Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- has 1 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 Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-?
The CAS number of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- is 117238-55-8.
What is the molecular formula of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-?
The molecular formula of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- is C16H11NO2.
What is the molecular weight of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-?
The molecular weight of Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- is 249.07898 g/mol.
Where can I buy Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-?
You can request a quote for Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-(2-benzofuranylhydroxymethyl)-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-(2-benzofuranylhydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.