alpha-Hydroxy-2-methoxybenzeneacetonitrile
TL;DR: alpha-Hydroxy-2-methoxybenzeneacetonitrile (CAS 1776-12-1) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(2-methoxyphenyl)acetonitrile
Also Known As: 2-hydroxy-2-(2-methoxyphenyl)acetonitrile, 2-Methoxymandelsaurenitril, (R)-2-Methoxymandelonitrile, alpha-Hydroxy-2-methoxybenzeneacetonitrile, Hydroxy(2-methoxyphenyl)acetonitrile
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 1776-12-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C(C#N)O |
| InChIKey | UYOPHIQZIDOLKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Hydroxy-2-methoxybenzeneacetonitrile (CAS 1776-12-1), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-hydroxy-2-(2-methoxyphenyl)acetonitrile.
Chemical Property Profile of alpha-Hydroxy-2-methoxybenzeneacetonitrile
Property Insights of alpha-Hydroxy-2-methoxybenzeneacetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Hydroxy-2-methoxybenzeneacetonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, alpha-Hydroxy-2-methoxybenzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Hydroxy-2-methoxybenzeneacetonitrile 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
Frequently Asked Questions
What is the CAS number of alpha-Hydroxy-2-methoxybenzeneacetonitrile?
The CAS number of alpha-Hydroxy-2-methoxybenzeneacetonitrile is 1776-12-1.
What is the molecular formula of alpha-Hydroxy-2-methoxybenzeneacetonitrile?
The molecular formula of alpha-Hydroxy-2-methoxybenzeneacetonitrile is C9H9NO2.
What is the molecular weight of alpha-Hydroxy-2-methoxybenzeneacetonitrile?
The molecular weight of alpha-Hydroxy-2-methoxybenzeneacetonitrile is 163.06 g/mol.
Where can I buy alpha-Hydroxy-2-methoxybenzeneacetonitrile?
You can request a quote for alpha-Hydroxy-2-methoxybenzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Hydroxy-2-methoxybenzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Hydroxy-2-methoxybenzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.