1-Ethoxy-2-methylbenzene
TL;DR: 1-Ethoxy-2-methylbenzene (CAS 614-71-1) is a chemical compound with molecular formula CCOC1=CC=CC=C1C and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-2-methylbenzene
Also Known As: 1-Ethoxy-2-methylbenzene, o-Ethoxytoluene, 2-Methylphenetole, ethoxytoluene, o-Methylphenetole
| Molecular Formula | CCOC1=CC=CC=C1C |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 614-71-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C |
| InChIKey | JWMKUKRBNODZFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethoxy-2-methylbenzene (CAS 614-71-1), with molecular formula CCOC1=CC=CC=C1C and molecular weight 136.09 g/mol. IUPAC: 1-ethoxy-2-methylbenzene.
Chemical Property Profile of 1-Ethoxy-2-methylbenzene
Property Insights of 1-Ethoxy-2-methylbenzene
The XLogP value of 3.1 indicates that 1-Ethoxy-2-methylbenzene 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-Ethoxy-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-2-methylbenzene 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-Ethoxy-2-methylbenzene?
The CAS number of 1-Ethoxy-2-methylbenzene is 614-71-1.
What is the molecular formula of 1-Ethoxy-2-methylbenzene?
The molecular formula of 1-Ethoxy-2-methylbenzene is CCOC1=CC=CC=C1C.
What is the molecular weight of 1-Ethoxy-2-methylbenzene?
The molecular weight of 1-Ethoxy-2-methylbenzene is 136.09 g/mol.
Where can I buy 1-Ethoxy-2-methylbenzene?
You can request a quote for 1-Ethoxy-2-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.