Benzenepropanol, alpha,beta-dimethyl-
TL;DR: Benzenepropanol, alpha,beta-dimethyl- (CAS 56836-93-2) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenylbutan-2-ol
Also Known As: 3-Methyl-4-phenylbutan-2-ol, Muguesia, muguet butanol, 3-Benzyl-2-butanol, 3-Methyl-4-phenyl-2-butanol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 56836-93-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(C)O |
| InChIKey | VSIXJPFQJMODCS-UHFFFAOYSA-N |
Product Overview
Benzenepropanol, alpha,beta-dimethyl- (CAS 56836-93-2), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 3-methyl-4-phenylbutan-2-ol.
Chemical Property Profile of Benzenepropanol, alpha,beta-dimethyl-
Property Insights of Benzenepropanol, alpha,beta-dimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanol, alpha,beta-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenepropanol, alpha,beta-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanol, alpha,beta-dimethyl- 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-dimethyl-?
The CAS number of Benzenepropanol, alpha,beta-dimethyl- is 56836-93-2.
What is the molecular formula of Benzenepropanol, alpha,beta-dimethyl-?
The molecular formula of Benzenepropanol, alpha,beta-dimethyl- is C11H16O.
What is the molecular weight of Benzenepropanol, alpha,beta-dimethyl-?
The molecular weight of Benzenepropanol, alpha,beta-dimethyl- is 164.12 g/mol.
Where can I buy Benzenepropanol, alpha,beta-dimethyl-?
You can request a quote for Benzenepropanol, alpha,beta-dimethyl- 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-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha,beta-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.