Phenol, 3-(1,1-dimethylethyl)-
TL;DR: Phenol, 3-(1,1-dimethylethyl)- (CAS 585-34-2) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylphenol
Also Known As: 3-tert-Butylphenol, m-tert-Butylphenol, 3-(tert-butyl)phenol, 3-t-Butylphenol, 3-tert-butyl-phenol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 585-34-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)O |
| InChIKey | CYEKUDPFXBLGHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-(1,1-dimethylethyl)- (CAS 585-34-2), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 3-tert-butylphenol.
Chemical Property Profile of Phenol, 3-(1,1-dimethylethyl)-
Property Insights of Phenol, 3-(1,1-dimethylethyl)-
The XLogP value of 3.3 indicates that Phenol, 3-(1,1-dimethylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 3-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(1,1-dimethylethyl)- 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 Phenol, 3-(1,1-dimethylethyl)-?
The CAS number of Phenol, 3-(1,1-dimethylethyl)- is 585-34-2.
What is the molecular formula of Phenol, 3-(1,1-dimethylethyl)-?
The molecular formula of Phenol, 3-(1,1-dimethylethyl)- is C10H14O.
What is the molecular weight of Phenol, 3-(1,1-dimethylethyl)-?
The molecular weight of Phenol, 3-(1,1-dimethylethyl)- is 150.10 g/mol.
Where can I buy Phenol, 3-(1,1-dimethylethyl)-?
You can request a quote for Phenol, 3-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.