alpha-(1-Methylpropyl)benzenemethanol
TL;DR: alpha-(1-Methylpropyl)benzenemethanol (CAS 3968-86-3) 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.
2-methyl-1-phenylbutan-1-ol
Also Known As: 2-Methyl-1-phenyl-1-butanol, 2-methyl-1-phenylbutan-1-ol, 1-Phenyl-2-methyl-1-butanol, alpha-(1-Methylpropyl)benzenemethanol, 2-methyl-1-phenyl-butan-1-ol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.8 |
| 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 | 3968-86-3 |
|---|---|
| SMILES | CCC(C)C(C1=CC=CC=C1)O |
| InChIKey | XYYQWQIEEXLXDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(1-Methylpropyl)benzenemethanol (CAS 3968-86-3), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-methyl-1-phenylbutan-1-ol.
Chemical Property Profile of alpha-(1-Methylpropyl)benzenemethanol
Property Insights of alpha-(1-Methylpropyl)benzenemethanol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(1-Methylpropyl)benzenemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-(1-Methylpropyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(1-Methylpropyl)benzenemethanol 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 alpha-(1-Methylpropyl)benzenemethanol?
The CAS number of alpha-(1-Methylpropyl)benzenemethanol is 3968-86-3.
What is the molecular formula of alpha-(1-Methylpropyl)benzenemethanol?
The molecular formula of alpha-(1-Methylpropyl)benzenemethanol is C11H16O.
What is the molecular weight of alpha-(1-Methylpropyl)benzenemethanol?
The molecular weight of alpha-(1-Methylpropyl)benzenemethanol is 164.12 g/mol.
Where can I buy alpha-(1-Methylpropyl)benzenemethanol?
You can request a quote for alpha-(1-Methylpropyl)benzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(1-Methylpropyl)benzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(1-Methylpropyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.