Benzenepropanol, alpha,beta,beta-trimethyl-
TL;DR: Benzenepropanol, alpha,beta,beta-trimethyl- (CAS 67682-19-3) 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-4-phenylbutan-2-ol
Also Known As: 3,3-Dimethyl-4-phenylbutan-2-ol, alpha,beta,beta-Trimethylbenzenepropanol, Benzenepropanol, alpha,beta,beta-trimethyl-, 3-BENZYL-3-METHYL-2-BUTANOL, Benzenepropanol, .alpha.,.beta.,.beta.-trimethyl-
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.1 |
| 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 | 145.0 |
Chemical Identifiers
| CAS Number | 67682-19-3 |
|---|---|
| SMILES | CC(C(C)(C)CC1=CC=CC=C1)O |
| InChIKey | IKPBBBOULQXHTE-UHFFFAOYSA-N |
Product Overview
Benzenepropanol, alpha,beta,beta-trimethyl- (CAS 67682-19-3), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3,3-dimethyl-4-phenylbutan-2-ol.
Chemical Property Profile of Benzenepropanol, alpha,beta,beta-trimethyl-
Property Insights of Benzenepropanol, alpha,beta,beta-trimethyl-
The XLogP value of 3.1 indicates that Benzenepropanol, alpha,beta,beta-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenepropanol, alpha,beta,beta-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanol, alpha,beta,beta-trimethyl- 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 Benzenepropanol, alpha,beta,beta-trimethyl-?
The CAS number of Benzenepropanol, alpha,beta,beta-trimethyl- is 67682-19-3.
What is the molecular formula of Benzenepropanol, alpha,beta,beta-trimethyl-?
The molecular formula of Benzenepropanol, alpha,beta,beta-trimethyl- is C12H18O.
What is the molecular weight of Benzenepropanol, alpha,beta,beta-trimethyl-?
The molecular weight of Benzenepropanol, alpha,beta,beta-trimethyl- is 178.14 g/mol.
Where can I buy Benzenepropanol, alpha,beta,beta-trimethyl-?
You can request a quote for Benzenepropanol, alpha,beta,beta-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha,beta,beta-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha,beta,beta-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.