2-(1-Methylbutyl)phenol
TL;DR: 2-(1-Methylbutyl)phenol (CAS 87-26-3) 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-pentan-2-ylphenol
Also Known As: 2-(1-Methylbutyl)phenol, o-sec-Amylphenol, 2-sec-Amylphenol, Phenol, 2-sec-pentyl-, 2-(pentan-2-yl)phenol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 4.0 |
| 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 |
Chemical Identifiers
| CAS Number | 87-26-3 |
|---|---|
| SMILES | CCCC(C)C1=CC=CC=C1O |
| InChIKey | ROMXEVFSCNLHAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Methylbutyl)phenol (CAS 87-26-3), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-pentan-2-ylphenol.
Chemical Property Profile of 2-(1-Methylbutyl)phenol
Property Insights of 2-(1-Methylbutyl)phenol
The XLogP value of 4.0 indicates that 2-(1-Methylbutyl)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-(1-Methylbutyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylbutyl)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-(1-Methylbutyl)phenol?
The CAS number of 2-(1-Methylbutyl)phenol is 87-26-3.
What is the molecular formula of 2-(1-Methylbutyl)phenol?
The molecular formula of 2-(1-Methylbutyl)phenol is C11H16O.
What is the molecular weight of 2-(1-Methylbutyl)phenol?
The molecular weight of 2-(1-Methylbutyl)phenol is 164.12 g/mol.
Where can I buy 2-(1-Methylbutyl)phenol?
You can request a quote for 2-(1-Methylbutyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylbutyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylbutyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.