Butyl phenethyl ether
TL;DR: Butyl phenethyl ether (CAS 5331-14-6) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethylbenzene
Also Known As: 2-butoxyethylbenzene, (2-Butoxyethyl)benzene, Butyl phenethyl ether, Benzene, (2-butoxyethyl)-, CRESSANTHER
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 5331-14-6 |
|---|---|
| SMILES | CCCCOCCC1=CC=CC=C1 |
| InChIKey | KLJOZKBZXLRMLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl phenethyl ether (CAS 5331-14-6), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-butoxyethylbenzene.
Chemical Property Profile of Butyl phenethyl ether
Property Insights of Butyl phenethyl ether
The XLogP value of 3.3 indicates that Butyl phenethyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Butyl phenethyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl phenethyl ether has 0 hydrogen bond donor(s) and 1 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 Butyl phenethyl ether?
The CAS number of Butyl phenethyl ether is 5331-14-6.
What is the molecular formula of Butyl phenethyl ether?
The molecular formula of Butyl phenethyl ether is C12H18O.
What is the molecular weight of Butyl phenethyl ether?
The molecular weight of Butyl phenethyl ether is 178.14 g/mol.
Where can I buy Butyl phenethyl ether?
You can request a quote for Butyl phenethyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl phenethyl ether?
Yes, KEHONG BIO provides custom synthesis services for Butyl phenethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.