Benzenemethanol, alpha-(2,2-dimethylpropyl)-
TL;DR: Benzenemethanol, alpha-(2,2-dimethylpropyl)- (CAS 62338-03-8) 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.
3,3-dimethyl-1-phenylbutan-1-ol
Also Known As: 3,3-Dimethyl-1-phenyl-1-butanol, 3,3-dimethyl-1-phenylbutan-1-ol, 3,3-Dimethyl-1-phenyl-1-butanol #, alpha-(2,2-Dimethylpropyl)benzenemethanol, A-(2,2-Dimethylpropyl)benzenemethanol
| 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 | 140.0 |
Chemical Identifiers
| CAS Number | 62338-03-8 |
|---|---|
| SMILES | CC(C)(C)CC(C1=CC=CC=C1)O |
| InChIKey | PCWKVEYADSGEHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanol, alpha-(2,2-dimethylpropyl)- (CAS 62338-03-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3,3-dimethyl-1-phenylbutan-1-ol.
Chemical Property Profile of Benzenemethanol, alpha-(2,2-dimethylpropyl)-
Property Insights of Benzenemethanol, alpha-(2,2-dimethylpropyl)-
The XLogP value of 3.2 indicates that Benzenemethanol, alpha-(2,2-dimethylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenemethanol, alpha-(2,2-dimethylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanol, alpha-(2,2-dimethylpropyl)- 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 Benzenemethanol, alpha-(2,2-dimethylpropyl)-?
The CAS number of Benzenemethanol, alpha-(2,2-dimethylpropyl)- is 62338-03-8.
What is the molecular formula of Benzenemethanol, alpha-(2,2-dimethylpropyl)-?
The molecular formula of Benzenemethanol, alpha-(2,2-dimethylpropyl)- is C12H18O.
What is the molecular weight of Benzenemethanol, alpha-(2,2-dimethylpropyl)-?
The molecular weight of Benzenemethanol, alpha-(2,2-dimethylpropyl)- is 178.14 g/mol.
Where can I buy Benzenemethanol, alpha-(2,2-dimethylpropyl)-?
You can request a quote for Benzenemethanol, alpha-(2,2-dimethylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, alpha-(2,2-dimethylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-(2,2-dimethylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.