1-(Chloromethyl)-4-phenoxybenzene
TL;DR: 1-(Chloromethyl)-4-phenoxybenzene (CAS 31426-72-9) is a chemical compound with molecular formula C13H11ClO and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)-4-phenoxybenzene
Also Known As: 1-(Chloromethyl)-4-phenoxybenzene, 4-phenoxybenzyl chloride, p-phenoxybenzyl chloride, 1-(Chloromethyl)-4-phenoxy-benzene, (Chloromethyl)phenoxybenzene
| Molecular Formula | C13H11ClO |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04984 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 31426-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)CCl |
| InChIKey | IATNZRYVIRYKDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethyl)-4-phenoxybenzene (CAS 31426-72-9), with molecular formula C13H11ClO and molecular weight 218.05 g/mol. IUPAC: 1-(chloromethyl)-4-phenoxybenzene.
Chemical Property Profile of 1-(Chloromethyl)-4-phenoxybenzene
Property Insights of 1-(Chloromethyl)-4-phenoxybenzene
The XLogP value of 3.8 indicates that 1-(Chloromethyl)-4-phenoxybenzene 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-(Chloromethyl)-4-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)-4-phenoxybenzene 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-(Chloromethyl)-4-phenoxybenzene?
The CAS number of 1-(Chloromethyl)-4-phenoxybenzene is 31426-72-9.
What is the molecular formula of 1-(Chloromethyl)-4-phenoxybenzene?
The molecular formula of 1-(Chloromethyl)-4-phenoxybenzene is C13H11ClO.
What is the molecular weight of 1-(Chloromethyl)-4-phenoxybenzene?
The molecular weight of 1-(Chloromethyl)-4-phenoxybenzene is 218.05 g/mol.
Where can I buy 1-(Chloromethyl)-4-phenoxybenzene?
You can request a quote for 1-(Chloromethyl)-4-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)-4-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)-4-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.