Phenol, 4-chloro-2-hexyl-
TL;DR: Phenol, 4-chloro-2-hexyl- (CAS 18979-94-7) 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.
4-chloro-2-hexylphenol
Also Known As: 4-Chloro-2-hexylphenol, 2-Hexyl-4-chlorophenol, Phenol, 4-chloro-2-hexyl-, n-hexyl-p-chlorophenol, 3-06-00-01993 (Beilstein Handbook Reference)
| Molecular Formula | C12H17ClO |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.09679 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 18979-94-7 |
|---|---|
| SMILES | CCCCCCC1=C(C=CC(=C1)Cl)O |
| InChIKey | UUBASQRIVIRMIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-chloro-2-hexyl- (CAS 18979-94-7), with molecular formula C12H17ClO and molecular weight 212.10 g/mol. IUPAC: 4-chloro-2-hexylphenol.
Chemical Property Profile of Phenol, 4-chloro-2-hexyl-
Property Insights of Phenol, 4-chloro-2-hexyl-
The XLogP value of 5.2 indicates that Phenol, 4-chloro-2-hexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 4-chloro-2-hexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-chloro-2-hexyl- has 1 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 Phenol, 4-chloro-2-hexyl-?
The CAS number of Phenol, 4-chloro-2-hexyl- is 18979-94-7.
What is the molecular formula of Phenol, 4-chloro-2-hexyl-?
The molecular formula of Phenol, 4-chloro-2-hexyl- is C12H17ClO.
What is the molecular weight of Phenol, 4-chloro-2-hexyl-?
The molecular weight of Phenol, 4-chloro-2-hexyl- is 212.10 g/mol.
Where can I buy Phenol, 4-chloro-2-hexyl-?
You can request a quote for Phenol, 4-chloro-2-hexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-chloro-2-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-chloro-2-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.