2-(3-Hexyl)phenol
TL;DR: 2-(3-Hexyl)phenol (CAS 91763-74-5) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexan-3-ylphenol
Also Known As: 2-(3-Hexyl)phenol, 2-(1-Ethylbutyl)phenol, 2-hexan-3-ylphenol, 2-(hexan-3-yl)phenol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 91763-74-5 |
|---|---|
| SMILES | CCCC(CC)C1=CC=CC=C1O |
| InChIKey | UVOWWKIXBXXDMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Hexyl)phenol (CAS 91763-74-5), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-hexan-3-ylphenol.
Chemical Property Profile of 2-(3-Hexyl)phenol
Property Insights of 2-(3-Hexyl)phenol
The XLogP value of 4.5 indicates that 2-(3-Hexyl)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-(3-Hexyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hexyl)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 2-(3-Hexyl)phenol?
The CAS number of 2-(3-Hexyl)phenol is 91763-74-5.
What is the molecular formula of 2-(3-Hexyl)phenol?
The molecular formula of 2-(3-Hexyl)phenol is C12H18O.
What is the molecular weight of 2-(3-Hexyl)phenol?
The molecular weight of 2-(3-Hexyl)phenol is 178.14 g/mol.
Where can I buy 2-(3-Hexyl)phenol?
You can request a quote for 2-(3-Hexyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Hexyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hexyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.