2-(4-Propan-2-ylphenoxy)acetonitrile
TL;DR: 2-(4-Propan-2-ylphenoxy)acetonitrile (CAS 201284-91-5) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-ylphenoxy)acetonitrile
Also Known As: 2-(4-propan-2-ylphenoxy)acetonitrile, (4-Isopropylphenoxy)acetonitrile, Acetonitrile,[4- phenoxy]-, (p-isopropyl-phenoxy)acetonitrile, [4-(isopropyl)phenoxy]-acetonitrile
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.71238 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 294.86148 |
Chemical Identifiers
| CAS Number | 201284-91-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC#N |
Product Overview
2-(4-Propan-2-ylphenoxy)acetonitrile (CAS 201284-91-5), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2-(4-propan-2-ylphenoxy)acetonitrile.
Chemical Property Profile of 2-(4-Propan-2-ylphenoxy)acetonitrile
Property Insights of 2-(4-Propan-2-ylphenoxy)acetonitrile
The XLogP value of 2.71238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Propan-2-ylphenoxy)acetonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(4-Propan-2-ylphenoxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Propan-2-ylphenoxy)acetonitrile has 0 hydrogen bond donor(s) and 2 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 2-(4-Propan-2-ylphenoxy)acetonitrile?
The CAS number of 2-(4-Propan-2-ylphenoxy)acetonitrile is 201284-91-5.
What is the molecular formula of 2-(4-Propan-2-ylphenoxy)acetonitrile?
The molecular formula of 2-(4-Propan-2-ylphenoxy)acetonitrile is C11H13NO.
What is the molecular weight of 2-(4-Propan-2-ylphenoxy)acetonitrile?
The molecular weight of 2-(4-Propan-2-ylphenoxy)acetonitrile is 175.10 g/mol.
Where can I buy 2-(4-Propan-2-ylphenoxy)acetonitrile?
You can request a quote for 2-(4-Propan-2-ylphenoxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Propan-2-ylphenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Propan-2-ylphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.