1-tert-Butyl-4-(2-ethoxyethoxy)benzene
TL;DR: 1-tert-Butyl-4-(2-ethoxyethoxy)benzene (CAS 54889-97-3) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(2-ethoxyethoxy)benzene
Also Known As: 1-tert-Butyl-4-(2-ethoxyethoxy)benzene, 1-tert-Butyl-4- benzene, 1-(p-tert-Butylphenoxy)-2-ethoxyethane, 1-tert-Butyl-4-(2-ethoxyethoxy)benzene #, Benzene, 1-(1,1-dimethylethyl)-4-(2-ethoxyethoxy)-
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 54889-97-3 |
|---|---|
| SMILES | CCOCCOC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | XZRLXISYVGIVAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butyl-4-(2-ethoxyethoxy)benzene (CAS 54889-97-3), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1-tert-butyl-4-(2-ethoxyethoxy)benzene.
Chemical Property Profile of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene
Property Insights of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene
The XLogP value of 3.8 indicates that 1-tert-Butyl-4-(2-ethoxyethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-tert-Butyl-4-(2-ethoxyethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-4-(2-ethoxyethoxy)benzene 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 1-tert-Butyl-4-(2-ethoxyethoxy)benzene?
The CAS number of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene is 54889-97-3.
What is the molecular formula of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene?
The molecular formula of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene is C14H22O2.
What is the molecular weight of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene?
The molecular weight of 1-tert-Butyl-4-(2-ethoxyethoxy)benzene is 222.16 g/mol.
Where can I buy 1-tert-Butyl-4-(2-ethoxyethoxy)benzene?
You can request a quote for 1-tert-Butyl-4-(2-ethoxyethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-4-(2-ethoxyethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-4-(2-ethoxyethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.