1-((2-Methylpropan-2-yl)oxy)ethylbenzene
TL;DR: 1-((2-Methylpropan-2-yl)oxy)ethylbenzene (CAS 90367-83-2) 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.
1-[(2-methylpropan-2-yl)oxy]ethylbenzene
Also Known As: (1-t-butoxyethyl)benzene, tert-butyl 1-phenylethyl ether, (1-tert-Butoxyethyl)benzene, 1-[(2-methylpropan-2-yl)oxy]ethylbenzene, 1-((2-Methylpropan-2-yl)oxy)ethylbenzene
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 90367-83-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(C)(C)C |
| InChIKey | TXJPRCGTEFCCRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-Methylpropan-2-yl)oxy)ethylbenzene (CAS 90367-83-2), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-[(2-methylpropan-2-yl)oxy]ethylbenzene.
Chemical Property Profile of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene
Property Insights of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene
The XLogP value of 3.0 indicates that 1-((2-Methylpropan-2-yl)oxy)ethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-((2-Methylpropan-2-yl)oxy)ethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-Methylpropan-2-yl)oxy)ethylbenzene 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 1-((2-Methylpropan-2-yl)oxy)ethylbenzene?
The CAS number of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene is 90367-83-2.
What is the molecular formula of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene?
The molecular formula of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene is C12H18O.
What is the molecular weight of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene?
The molecular weight of 1-((2-Methylpropan-2-yl)oxy)ethylbenzene is 178.14 g/mol.
Where can I buy 1-((2-Methylpropan-2-yl)oxy)ethylbenzene?
You can request a quote for 1-((2-Methylpropan-2-yl)oxy)ethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2-Methylpropan-2-yl)oxy)ethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Methylpropan-2-yl)oxy)ethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.