2-(1-Methylpropyl)-4-tert-butylphenol
TL;DR: 2-(1-Methylpropyl)-4-tert-butylphenol (CAS 51390-14-8) 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.
2-butan-2-yl-4-tert-butylphenol
Also Known As: 4-tert-butyl-2-sec-butylphenol, 2-butan-2-yl-4-tert-butylphenol, o-sec-4-tert-Butylphenol, 2-(1-Methylpropyl)-4-tert-butylphenol, 2-(butan-2-yl)-4-tert-butylphenol
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 51390-14-8 |
|---|---|
| SMILES | CCC(C)C1=C(C=CC(=C1)C(C)(C)C)O |
| InChIKey | JKFZLMPBXBMSPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-Methylpropyl)-4-tert-butylphenol (CAS 51390-14-8), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2-butan-2-yl-4-tert-butylphenol.
Chemical Property Profile of 2-(1-Methylpropyl)-4-tert-butylphenol
Property Insights of 2-(1-Methylpropyl)-4-tert-butylphenol
The XLogP value of 4.9 indicates that 2-(1-Methylpropyl)-4-tert-butylphenol 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-Methylpropyl)-4-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylpropyl)-4-tert-butylphenol 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-Methylpropyl)-4-tert-butylphenol?
The CAS number of 2-(1-Methylpropyl)-4-tert-butylphenol is 51390-14-8.
What is the molecular formula of 2-(1-Methylpropyl)-4-tert-butylphenol?
The molecular formula of 2-(1-Methylpropyl)-4-tert-butylphenol is C14H22O.
What is the molecular weight of 2-(1-Methylpropyl)-4-tert-butylphenol?
The molecular weight of 2-(1-Methylpropyl)-4-tert-butylphenol is 206.17 g/mol.
Where can I buy 2-(1-Methylpropyl)-4-tert-butylphenol?
You can request a quote for 2-(1-Methylpropyl)-4-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylpropyl)-4-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylpropyl)-4-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.