tert-Octylphenol
TL;DR: tert-Octylphenol (CAS 3884-95-5) 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-(2,4,4-trimethylpentan-2-yl)phenol
Also Known As: Octylphenol, tert-Octylphenol, t-octylphenol, o-tert-Octylphenol, Octyl phenol
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 3884-95-5 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=CC=C1O |
| InChIKey | XSXWOBXNYNULJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Octylphenol (CAS 3884-95-5), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2-(2,4,4-trimethylpentan-2-yl)phenol.
Chemical Property Profile of tert-Octylphenol
Property Insights of tert-Octylphenol
The XLogP value of 5.0 indicates that tert-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, tert-Octylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Octylphenol has 1 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 tert-Octylphenol?
The CAS number of tert-Octylphenol is 3884-95-5.
What is the molecular formula of tert-Octylphenol?
The molecular formula of tert-Octylphenol is C14H22O.
What is the molecular weight of tert-Octylphenol?
The molecular weight of tert-Octylphenol is 206.17 g/mol.
Where can I buy tert-Octylphenol?
You can request a quote for tert-Octylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Octylphenol?
Yes, KEHONG BIO provides custom synthesis services for tert-Octylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.