Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
TL;DR: Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- (CAS 39515-47-4) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Also Known As: 2-hydroxy-2-(3-phenoxyphenyl)acetonitrile, 3-Phenoxybenzaldehyde cyanohydrin, 3-Phenoxymandelonitrile, (S)-Cyanohydrin, 3-Phenoxybenzaldehydecyanohydrin
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.07898 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07898 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)O |
| InChIKey | GXUQMKBQDGPMKZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
Property Insights of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-. With a topological polar surface area (TPSA) of 53.3 Ų, Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- 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 Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-?
The CAS number of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- is 39515-47-4.
What is the molecular formula of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-?
The molecular formula of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- is C14H11NO2.
What is the molecular weight of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-?
The molecular weight of Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- is 225.07898 g/mol.
Where can I buy Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-?
You can request a quote for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)-?
Yes, CoreyChem provides custom synthesis services for Benzeneacetonitrile, alpha-hydroxy-3-phenoxy-, (alphaS)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.