4-Octanoylphenol
TL;DR: 4-Octanoylphenol (CAS 2589-73-3) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxyphenyl)octan-1-one
Also Known As: 4-Octanoylphenol, 1-(4-hydroxyphenyl)octan-1-one, 4'-Hydroxyoctanophenone, 4-Hydroxyoctanophenone, 1-Octanone, 1-(4-hydroxyphenyl)-
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 2589-73-3 |
|---|---|
| SMILES | CCCCCCCC(=O)C1=CC=C(C=C1)O |
| InChIKey | GPDYSJOGSNWMDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Octanoylphenol (CAS 2589-73-3), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 1-(4-hydroxyphenyl)octan-1-one.
Chemical Property Profile of 4-Octanoylphenol
Property Insights of 4-Octanoylphenol
The XLogP value of 4.2 indicates that 4-Octanoylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Octanoylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octanoylphenol has 1 hydrogen bond donor(s) and 2 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 4-Octanoylphenol?
The CAS number of 4-Octanoylphenol is 2589-73-3.
What is the molecular formula of 4-Octanoylphenol?
The molecular formula of 4-Octanoylphenol is C14H20O2.
What is the molecular weight of 4-Octanoylphenol?
The molecular weight of 4-Octanoylphenol is 220.15 g/mol.
Where can I buy 4-Octanoylphenol?
You can request a quote for 4-Octanoylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octanoylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Octanoylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.