2-(Octan-3-yl)phenol
TL;DR: 2-(Octan-3-yl)phenol (CAS 17404-44-3) 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-octan-3-ylphenol
Also Known As: 2-(octan-3-yl)phenol, 2-octan-3-ylphenol, 2-(1-Ethylhexyl)phenol, o-(1-Ethylhexyl)phenol, Phenol, 2-(1-ethylhexyl)-
| 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 | 6 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 17404-44-3 |
|---|---|
| SMILES | CCCCCC(CC)C1=CC=CC=C1O |
| InChIKey | WBQRXJLVMAWCMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Octan-3-yl)phenol (CAS 17404-44-3), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2-octan-3-ylphenol.
Chemical Property Profile of 2-(Octan-3-yl)phenol
Property Insights of 2-(Octan-3-yl)phenol
The XLogP value of 5.6 indicates that 2-(Octan-3-yl)phenol 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-(Octan-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Octan-3-yl)phenol 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-(Octan-3-yl)phenol?
The CAS number of 2-(Octan-3-yl)phenol is 17404-44-3.
What is the molecular formula of 2-(Octan-3-yl)phenol?
The molecular formula of 2-(Octan-3-yl)phenol is C14H22O.
What is the molecular weight of 2-(Octan-3-yl)phenol?
The molecular weight of 2-(Octan-3-yl)phenol is 206.17 g/mol.
Where can I buy 2-(Octan-3-yl)phenol?
You can request a quote for 2-(Octan-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Octan-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Octan-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.