2-Butyl-4-methylphenol
TL;DR: 2-Butyl-4-methylphenol (CAS 6891-45-8) 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.
2-butyl-4-methylphenol
Also Known As: 2-butyl-4-methylphenol, Butyl-p-cresol, 2-Butyl-p-cresol, butyl-4-methylphenol, 2-Butyl-4-methyl phenol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.8 |
| 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 | 122.0 |
| Melting Point | 19 °C |
Chemical Identifiers
| CAS Number | 6891-45-8 |
|---|---|
| SMILES | CCCCC1=C(C=CC(=C1)C)O |
| InChIKey | FEXBEKLLSUWSIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyl-4-methylphenol (CAS 6891-45-8), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-butyl-4-methylphenol.
Chemical Property Profile of 2-Butyl-4-methylphenol
Property Insights of 2-Butyl-4-methylphenol
The XLogP value of 3.8 indicates that 2-Butyl-4-methylphenol 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-Butyl-4-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-4-methylphenol 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-Butyl-4-methylphenol?
The CAS number of 2-Butyl-4-methylphenol is 6891-45-8.
What is the molecular formula of 2-Butyl-4-methylphenol?
The molecular formula of 2-Butyl-4-methylphenol is C11H16O.
What is the molecular weight of 2-Butyl-4-methylphenol?
The molecular weight of 2-Butyl-4-methylphenol is 164.12 g/mol.
Where can I buy 2-Butyl-4-methylphenol?
You can request a quote for 2-Butyl-4-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-4-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-4-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.