n-Octylphenol
TL;DR: n-Octylphenol (CAS 949-13-3) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octylphenol
Also Known As: Octylphenol, o-Octylphenol, Phenol, 2-octyl-, 2-OCTYLPHENOL, Phenol, o-octyl-
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 949-13-3 |
|---|---|
| SMILES | CCCCCCCCC1=CC=CC=C1O |
| InChIKey | DUIOKRXOKLLURE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Octylphenol (CAS 949-13-3), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2-octylphenol.
Chemical Property Profile of n-Octylphenol
Property Insights of n-Octylphenol
The XLogP value of 5.6 indicates that n-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, n-Octylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-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 n-Octylphenol?
The CAS number of n-Octylphenol is 949-13-3.
What is the molecular formula of n-Octylphenol?
The molecular formula of n-Octylphenol is C14H22O.
What is the molecular weight of n-Octylphenol?
The molecular weight of n-Octylphenol is 206.17 g/mol.
Where can I buy n-Octylphenol?
You can request a quote for n-Octylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Octylphenol?
Yes, KEHONG BIO provides custom synthesis services for n-Octylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.