2-(tert-Butyl)-4-chlorophenol
TL;DR: 2-(tert-Butyl)-4-chlorophenol (CAS 13395-85-2) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-chlorophenol
Also Known As: 2-(tert-Butyl)-4-chlorophenol, 2-Tert-butyl-4-chlorophenol, o-t-butyl-p-chlorophenol, 4-Chloro-2-tert-butylphenol, 2-tert-butyl-4-chloro-phenol
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 13395-85-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)Cl)O |
| InChIKey | YLSXYZWJAZVUBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(tert-Butyl)-4-chlorophenol (CAS 13395-85-2), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 2-tert-butyl-4-chlorophenol.
Chemical Property Profile of 2-(tert-Butyl)-4-chlorophenol
Property Insights of 2-(tert-Butyl)-4-chlorophenol
The XLogP value of 3.8 indicates that 2-(tert-Butyl)-4-chlorophenol 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-(tert-Butyl)-4-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)-4-chlorophenol 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-(tert-Butyl)-4-chlorophenol?
The CAS number of 2-(tert-Butyl)-4-chlorophenol is 13395-85-2.
What is the molecular formula of 2-(tert-Butyl)-4-chlorophenol?
The molecular formula of 2-(tert-Butyl)-4-chlorophenol is C10H13ClO.
What is the molecular weight of 2-(tert-Butyl)-4-chlorophenol?
The molecular weight of 2-(tert-Butyl)-4-chlorophenol is 184.07 g/mol.
Where can I buy 2-(tert-Butyl)-4-chlorophenol?
You can request a quote for 2-(tert-Butyl)-4-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butyl)-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.