1-Chloro-4-(octyloxy)benzene
TL;DR: 1-Chloro-4-(octyloxy)benzene (CAS 836-60-2) is a chemical compound with molecular formula C14H21ClO and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-octoxybenzene
Also Known As: 1-chloro-4-(octyloxy)benzene, 1-chloro-4-octoxybenzene, 4-Chlorophenyloctyl ether, 4-chlorophenyl octyl ether, 1-(4-chlorophenoxy)octane
| Molecular Formula | C14H21ClO |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 240.1281 |
| Heavy Atoms | 16 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 836-60-2 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)Cl |
| InChIKey | WIDHUBSORYSSME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(octyloxy)benzene (CAS 836-60-2), with molecular formula C14H21ClO and molecular weight 240.13 g/mol. IUPAC: 1-chloro-4-octoxybenzene.
Chemical Property Profile of 1-Chloro-4-(octyloxy)benzene
Property Insights of 1-Chloro-4-(octyloxy)benzene
The XLogP value of 6.1 indicates that 1-Chloro-4-(octyloxy)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-4-(octyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(octyloxy)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-4-(octyloxy)benzene?
The CAS number of 1-Chloro-4-(octyloxy)benzene is 836-60-2.
What is the molecular formula of 1-Chloro-4-(octyloxy)benzene?
The molecular formula of 1-Chloro-4-(octyloxy)benzene is C14H21ClO.
What is the molecular weight of 1-Chloro-4-(octyloxy)benzene?
The molecular weight of 1-Chloro-4-(octyloxy)benzene is 240.13 g/mol.
Where can I buy 1-Chloro-4-(octyloxy)benzene?
You can request a quote for 1-Chloro-4-(octyloxy)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-4-(octyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(octyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.