![3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile structure](/static/products/1273/127389-36-0.webp)
3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile
TL;DR: 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile (CAS 127389-36-0) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(4-ethylphenoxy)phenyl]-3-oxopropanenitrile
Also Known As: 3-[3-(4-ethylphenoxy)phenyl]-3-oxopropanenitrile, 3-(4-ETHYLPHENOXY)-BETA-OXO-BENZENEPROPANENITRILE
Technical Specifications
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.1103 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1103 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | CCC1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)CC#N |
| InChIKey | HKAWIVRXZXGNDO-UHFFFAOYSA-N |
Chemical Property Profile of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile
Property Insights of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile
The XLogP value of 3.8 indicates that 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile has 0 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-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile?
The CAS number of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile is 127389-36-0.
What is the molecular formula of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile?
The molecular formula of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile is C17H15NO2.
What is the molecular weight of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile?
The molecular weight of 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile is 265.1103 g/mol.
Where can I buy 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile?
You can request a quote for 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-[3-(4-Ethylphenoxy)phenyl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.