![[2-(1-Methylethyl)phenoxy]acetonitrile structure](/static/products/7143/71432-53-6.webp)
[2-(1-Methylethyl)phenoxy]acetonitrile
TL;DR: [2-(1-Methylethyl)phenoxy]acetonitrile (CAS 71432-53-6) 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-(2-propan-2-ylphenoxy)acetonitrile
Also Known As: 2-(2-Isopropylphenoxy)acetonitrile, [2-(1-METHYLETHYL)PHENOXY]ACETONITRILE, EINECS 275-441-7, 2-(2-propan-2-ylphenoxy)acetonitrile, 2-[2-(propan-2-yl)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 | 312.11148 |
Chemical Identifiers
| CAS Number | 71432-53-6 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OCC#N |
Product Overview
[2-(1-Methylethyl)phenoxy]acetonitrile (CAS 71432-53-6), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2-(2-propan-2-ylphenoxy)acetonitrile.
Chemical Property Profile of [2-(1-Methylethyl)phenoxy]acetonitrile
Property Insights of [2-(1-Methylethyl)phenoxy]acetonitrile
The XLogP value of 2.71238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(1-Methylethyl)phenoxy]acetonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, [2-(1-Methylethyl)phenoxy]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(1-Methylethyl)phenoxy]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-(1-Methylethyl)phenoxy]acetonitrile?
The CAS number of [2-(1-Methylethyl)phenoxy]acetonitrile is 71432-53-6.
What is the molecular formula of [2-(1-Methylethyl)phenoxy]acetonitrile?
The molecular formula of [2-(1-Methylethyl)phenoxy]acetonitrile is C11H13NO.
What is the molecular weight of [2-(1-Methylethyl)phenoxy]acetonitrile?
The molecular weight of [2-(1-Methylethyl)phenoxy]acetonitrile is 175.10 g/mol.
Where can I buy [2-(1-Methylethyl)phenoxy]acetonitrile?
You can request a quote for [2-(1-Methylethyl)phenoxy]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(1-Methylethyl)phenoxy]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [2-(1-Methylethyl)phenoxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.