1-Chloro-4-(hexyloxy)benzene
TL;DR: 1-Chloro-4-(hexyloxy)benzene (CAS 6345-84-2) is a chemical compound with molecular formula C12H17ClO and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-hexoxybenzene
Also Known As: 1-chloro-4-(hexyloxy)benzene, 1-chloro-4-hexoxybenzene, 4-Chlorophenylhexyl ether, (4-Chlorophenyl)hexyl ether, 4-(Hexyloxy)phenyl chloride
| Molecular Formula | C12H17ClO |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.09679 |
| Heavy Atoms | 14 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6345-84-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)Cl |
| InChIKey | NHRQHXRDQZDFIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(hexyloxy)benzene (CAS 6345-84-2), with molecular formula C12H17ClO and molecular weight 212.10 g/mol. IUPAC: 1-chloro-4-hexoxybenzene.
Chemical Property Profile of 1-Chloro-4-(hexyloxy)benzene
Property Insights of 1-Chloro-4-(hexyloxy)benzene
The XLogP value of 5.0 indicates that 1-Chloro-4-(hexyloxy)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-(hexyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(hexyloxy)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 1-Chloro-4-(hexyloxy)benzene?
The CAS number of 1-Chloro-4-(hexyloxy)benzene is 6345-84-2.
What is the molecular formula of 1-Chloro-4-(hexyloxy)benzene?
The molecular formula of 1-Chloro-4-(hexyloxy)benzene is C12H17ClO.
What is the molecular weight of 1-Chloro-4-(hexyloxy)benzene?
The molecular weight of 1-Chloro-4-(hexyloxy)benzene is 212.10 g/mol.
Where can I buy 1-Chloro-4-(hexyloxy)benzene?
You can request a quote for 1-Chloro-4-(hexyloxy)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-(hexyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(hexyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.