4-(Octan-4-yl)phenol
TL;DR: 4-(Octan-4-yl)phenol (CAS 3307-01-5) 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.
4-octan-4-ylphenol
Also Known As: 4-(octan-4-yl)phenol, 4-octan-4-ylphenol, p-(1-Propylpentyl)phenol, 4-(1-propylpentyl)phenol, EINECS 221-990-2
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 5.4 |
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 3307-01-5 |
|---|---|
| SMILES | CCCCC(CCC)C1=CC=C(C=C1)O |
| InChIKey | PMYJONITFALWEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Octan-4-yl)phenol (CAS 3307-01-5), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 4-octan-4-ylphenol.
Chemical Property Profile of 4-(Octan-4-yl)phenol
Property Insights of 4-(Octan-4-yl)phenol
The XLogP value of 5.4 indicates that 4-(Octan-4-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, 4-(Octan-4-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Octan-4-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 4-(Octan-4-yl)phenol?
The CAS number of 4-(Octan-4-yl)phenol is 3307-01-5.
What is the molecular formula of 4-(Octan-4-yl)phenol?
The molecular formula of 4-(Octan-4-yl)phenol is C14H22O.
What is the molecular weight of 4-(Octan-4-yl)phenol?
The molecular weight of 4-(Octan-4-yl)phenol is 206.17 g/mol.
Where can I buy 4-(Octan-4-yl)phenol?
You can request a quote for 4-(Octan-4-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Octan-4-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Octan-4-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.