2-Chloro-4-octylphenol
TL;DR: 2-Chloro-4-octylphenol (CAS 79162-47-3) 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.
2-chloro-4-octylphenol
Also Known As: 2-chloro-4-octylphenol, 2-chloro-4-octyl-phenol, 2-chloro-4-n-octylphenol, NCIOpen2_003934
| Molecular Formula | C14H21ClO |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.1281 |
| Heavy Atoms | 16 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 79162-47-3 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=C(C=C1)O)Cl |
| InChIKey | WLHBVLZZOJGNGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-octylphenol (CAS 79162-47-3), with molecular formula C14H21ClO and molecular weight 240.13 g/mol. IUPAC: 2-chloro-4-octylphenol.
Chemical Property Profile of 2-Chloro-4-octylphenol
Property Insights of 2-Chloro-4-octylphenol
The XLogP value of 6.1 indicates that 2-Chloro-4-octylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Chloro-4-octylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-octylphenol 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 2-Chloro-4-octylphenol?
The CAS number of 2-Chloro-4-octylphenol is 79162-47-3.
What is the molecular formula of 2-Chloro-4-octylphenol?
The molecular formula of 2-Chloro-4-octylphenol is C14H21ClO.
What is the molecular weight of 2-Chloro-4-octylphenol?
The molecular weight of 2-Chloro-4-octylphenol is 240.13 g/mol.
Where can I buy 2-Chloro-4-octylphenol?
You can request a quote for 2-Chloro-4-octylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-octylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-octylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.