3-Hydroxy-3-(2-methoxyphenyl)propanenitrile
TL;DR: 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile (CAS 103204-28-0) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-3-(2-methoxyphenyl)propanenitrile
Also Known As: 3-hydroxy-3-(2-methoxyphenyl)propanenitrile, beta-Hydroxy-o-methoxybenzenepropanenitrile, 3-(2-Methoxyphenyl)-3-hydroxypropanenitrile, J2.595.791A
Technical Specifications
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.07898 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | COC1=CC=CC=C1C(CC#N)O |
| InChIKey | CIDAGKOSEVZIMA-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile
Property Insights of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile 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 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile?
The CAS number of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile is 103204-28-0.
What is the molecular formula of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile?
The molecular formula of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile is C10H11NO2.
What is the molecular weight of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile?
The molecular weight of 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile is 177.07898 g/mol.
Where can I buy 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile?
You can request a quote for 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-3-(2-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.