4-(3-Pentyl)phenol
TL;DR: 4-(3-Pentyl)phenol (CAS 29528-33-4) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pentan-3-ylphenol
Also Known As: 4-(3-Pentyl)phenol, 4-(pentan-3-yl)phenol, 4-pentan-3-ylphenol, 4-(1-ethylpropyl)phenol, 3-(4-Hydroxyphenyl)pentane
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 29528-33-4 |
|---|---|
| SMILES | CCC(CC)C1=CC=C(C=C1)O |
| InChIKey | NXNCTLHHTLIVRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Pentyl)phenol (CAS 29528-33-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 4-pentan-3-ylphenol.
Chemical Property Profile of 4-(3-Pentyl)phenol
Property Insights of 4-(3-Pentyl)phenol
The XLogP value of 3.6 indicates that 4-(3-Pentyl)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-(3-Pentyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Pentyl)phenol 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 4-(3-Pentyl)phenol?
The CAS number of 4-(3-Pentyl)phenol is 29528-33-4.
What is the molecular formula of 4-(3-Pentyl)phenol?
The molecular formula of 4-(3-Pentyl)phenol is C11H16O.
What is the molecular weight of 4-(3-Pentyl)phenol?
The molecular weight of 4-(3-Pentyl)phenol is 164.12 g/mol.
Where can I buy 4-(3-Pentyl)phenol?
You can request a quote for 4-(3-Pentyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Pentyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Pentyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.