p-tert-Butylphenethyl alcohol
TL;DR: p-tert-Butylphenethyl alcohol (CAS 5406-86-0) 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-(4-tert-butylphenyl)ethanol
Also Known As: 2-(4-tert-Butylphenyl)ethanol, 2-(4-(tert-Butyl)phenyl)ethanol, 4-Tert-Butylphenethyl Alcohol, p-tert-Butylphenethyl alcohol, 2- ethanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 5406-86-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CCO |
| InChIKey | NZGMMENPUKHODD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Butylphenethyl alcohol (CAS 5406-86-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-(4-tert-butylphenyl)ethanol.
Chemical Property Profile of p-tert-Butylphenethyl alcohol
Property Insights of p-tert-Butylphenethyl alcohol
The XLogP value of 3.2 indicates that p-tert-Butylphenethyl alcohol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, p-tert-Butylphenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Butylphenethyl alcohol 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 p-tert-Butylphenethyl alcohol?
The CAS number of p-tert-Butylphenethyl alcohol is 5406-86-0.
What is the molecular formula of p-tert-Butylphenethyl alcohol?
The molecular formula of p-tert-Butylphenethyl alcohol is C12H18O.
What is the molecular weight of p-tert-Butylphenethyl alcohol?
The molecular weight of p-tert-Butylphenethyl alcohol is 178.14 g/mol.
Where can I buy p-tert-Butylphenethyl alcohol?
You can request a quote for p-tert-Butylphenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylphenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylphenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.