(1-Methylethoxy)benzene
TL;DR: (1-Methylethoxy)benzene (CAS 2741-16-4) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yloxybenzene
Also Known As: Isopropoxybenzene, 1-Isopropoxybenzene, Isopropyl phenyl ether, Benzene, (1-methylethoxy)-, propan-2-yloxybenzene
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.3 |
| 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 | 82.0 |
Chemical Identifiers
| CAS Number | 2741-16-4 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1 |
| InChIKey | ZYNMJJNWXVKJJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Methylethoxy)benzene (CAS 2741-16-4), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: propan-2-yloxybenzene.
Chemical Property Profile of (1-Methylethoxy)benzene
Property Insights of (1-Methylethoxy)benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methylethoxy)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, (1-Methylethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylethoxy)benzene 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-Methylethoxy)benzene?
The CAS number of (1-Methylethoxy)benzene is 2741-16-4.
What is the molecular formula of (1-Methylethoxy)benzene?
The molecular formula of (1-Methylethoxy)benzene is C9H12O.
What is the molecular weight of (1-Methylethoxy)benzene?
The molecular weight of (1-Methylethoxy)benzene is 136.09 g/mol.
Where can I buy (1-Methylethoxy)benzene?
You can request a quote for (1-Methylethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.