4-Chlorobenzyl 4-methylphenyl ether
TL;DR: 4-Chlorobenzyl 4-methylphenyl ether (CAS 68540-90-9) is a chemical compound with molecular formula C14H13ClO and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[(4-methylphenoxy)methyl]benzene
Also Known As: 4-chlorobenzyl 4-methylphenyl ether, 1-chloro-4-[(4-methylphenoxy)methyl]benzene, 1-[(4-chlorophenyl)methoxy]-4-methylbenzene
| Molecular Formula | C14H13ClO |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.06549 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 68540-90-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl |
| InChIKey | BLUAIEPXNSNKBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorobenzyl 4-methylphenyl ether (CAS 68540-90-9), with molecular formula C14H13ClO and molecular weight 232.07 g/mol. IUPAC: 1-chloro-4-[(4-methylphenoxy)methyl]benzene.
Chemical Property Profile of 4-Chlorobenzyl 4-methylphenyl ether
Property Insights of 4-Chlorobenzyl 4-methylphenyl ether
The XLogP value of 4.8 indicates that 4-Chlorobenzyl 4-methylphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Chlorobenzyl 4-methylphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 4-methylphenyl 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 4-Chlorobenzyl 4-methylphenyl ether?
The CAS number of 4-Chlorobenzyl 4-methylphenyl ether is 68540-90-9.
What is the molecular formula of 4-Chlorobenzyl 4-methylphenyl ether?
The molecular formula of 4-Chlorobenzyl 4-methylphenyl ether is C14H13ClO.
What is the molecular weight of 4-Chlorobenzyl 4-methylphenyl ether?
The molecular weight of 4-Chlorobenzyl 4-methylphenyl ether is 232.07 g/mol.
Where can I buy 4-Chlorobenzyl 4-methylphenyl ether?
You can request a quote for 4-Chlorobenzyl 4-methylphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl 4-methylphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 4-methylphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.