(2-Chloro-1-methoxyethyl)benzene
TL;DR: (2-Chloro-1-methoxyethyl)benzene (CAS 3898-26-8) 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.
(2-chloro-1-methoxyethyl)benzene
Also Known As: (2-Chloro-1-methoxyethyl)benzene, CMBMUYICTPOEOA-UHFFFAOYSA-, 1-Phenyl-1-methoxy-2-chloroethane, 2-Chloro-1-methoxy-1-phenylethane, alpha-methoxy-beta-chloroethylbenzene
| Molecular Formula | C9H11ClO |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 3898-26-8 |
|---|---|
| SMILES | COC(CCl)C1=CC=CC=C1 |
| InChIKey | CMBMUYICTPOEOA-UHFFFAOYSA-N |
Product Overview
(2-Chloro-1-methoxyethyl)benzene (CAS 3898-26-8), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: (2-chloro-1-methoxyethyl)benzene.
Chemical Property Profile of (2-Chloro-1-methoxyethyl)benzene
Property Insights of (2-Chloro-1-methoxyethyl)benzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chloro-1-methoxyethyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, (2-Chloro-1-methoxyethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chloro-1-methoxyethyl)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 (2-Chloro-1-methoxyethyl)benzene?
The CAS number of (2-Chloro-1-methoxyethyl)benzene is 3898-26-8.
What is the molecular formula of (2-Chloro-1-methoxyethyl)benzene?
The molecular formula of (2-Chloro-1-methoxyethyl)benzene is C9H11ClO.
What is the molecular weight of (2-Chloro-1-methoxyethyl)benzene?
The molecular weight of (2-Chloro-1-methoxyethyl)benzene is 170.05 g/mol.
Where can I buy (2-Chloro-1-methoxyethyl)benzene?
You can request a quote for (2-Chloro-1-methoxyethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Chloro-1-methoxyethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2-Chloro-1-methoxyethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.