Benzyl 2-Chloroethyl Ether
TL;DR: Benzyl 2-Chloroethyl Ether (CAS 17229-17-3) 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-chloroethoxymethylbenzene
Also Known As: Benzyl 2-chloroethyl ether, ((2-Chloroethoxy)methyl)benzene, 2-chloroethoxymethylbenzene, 3-Ethylhexanoicacid, 2-Hydroxypropiophenone
| 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 | 4 |
| Exact Mass | 170.04984 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 17229-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCCCl |
| InChIKey | UPIMXDQREQJWMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-Chloroethyl Ether (CAS 17229-17-3), with molecular formula C9H11ClO and molecular weight 170.05 g/mol. IUPAC: 2-chloroethoxymethylbenzene.
Chemical Property Profile of Benzyl 2-Chloroethyl Ether
Property Insights of Benzyl 2-Chloroethyl Ether
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-Chloroethyl Ether. With a topological polar surface area (TPSA) of 9.2 Ų, Benzyl 2-Chloroethyl Ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-Chloroethyl Ether 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 Benzyl 2-Chloroethyl Ether?
The CAS number of Benzyl 2-Chloroethyl Ether is 17229-17-3.
What is the molecular formula of Benzyl 2-Chloroethyl Ether?
The molecular formula of Benzyl 2-Chloroethyl Ether is C9H11ClO.
What is the molecular weight of Benzyl 2-Chloroethyl Ether?
The molecular weight of Benzyl 2-Chloroethyl Ether is 170.05 g/mol.
Where can I buy Benzyl 2-Chloroethyl Ether?
You can request a quote for Benzyl 2-Chloroethyl Ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-Chloroethyl Ether?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-Chloroethyl Ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.