1-Chloro-2-(1-methylethoxy)benzene
TL;DR: 1-Chloro-2-(1-methylethoxy)benzene (CAS 42489-57-6) is a chemical compound with molecular formula C9H11ClO and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-propan-2-yloxybenzene
Also Known As: 1-chloro-2-isopropoxybenzene, 1-Chloro-2-(1-methylethoxy)benzene, 1-chloro-2-propan-2-yloxybenzene, 1-Chloro-2- benzene, 1-chloro-2-(propan-2-yloxy)benzene
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 42489-57-6 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1Cl |
| InChIKey | JJOKVZBVPCSGJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2-(1-methylethoxy)benzene (CAS 42489-57-6), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 1-chloro-2-propan-2-yloxybenzene.
Chemical Property Profile of 1-Chloro-2-(1-methylethoxy)benzene
Property Insights of 1-Chloro-2-(1-methylethoxy)benzene
The XLogP value of 3.5 indicates that 1-Chloro-2-(1-methylethoxy)benzene 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-Chloro-2-(1-methylethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(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-Chloro-2-(1-methylethoxy)benzene?
The CAS number of 1-Chloro-2-(1-methylethoxy)benzene is 42489-57-6.
What is the molecular formula of 1-Chloro-2-(1-methylethoxy)benzene?
The molecular formula of 1-Chloro-2-(1-methylethoxy)benzene is C9H11ClO.
What is the molecular weight of 1-Chloro-2-(1-methylethoxy)benzene?
The molecular weight of 1-Chloro-2-(1-methylethoxy)benzene is 170.05 g/mol.
Where can I buy 1-Chloro-2-(1-methylethoxy)benzene?
You can request a quote for 1-Chloro-2-(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-Chloro-2-(1-methylethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-(1-methylethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.