alpha-(2-Methylpropyl)benzeneethanol
TL;DR: alpha-(2-Methylpropyl)benzeneethanol (CAS 7779-78-4) 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.
4-methyl-1-phenylpentan-2-ol
Also Known As: 4-Methyl-1-phenyl-2-pentanol, 4-Methyl-1-phenylpentan-2-ol, Isobutyl benzyl carbinol, Benzylisoamyl alcohol, Isobutylbenzylcarbinol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
| Density | 0.940-0.949 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.500-1.510 |
Chemical Identifiers
| CAS Number | 7779-78-4 |
|---|---|
| SMILES | CC(C)CC(CC1=CC=CC=C1)O |
| InChIKey | IUADYGVMSDKSMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(2-Methylpropyl)benzeneethanol (CAS 7779-78-4), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-methyl-1-phenylpentan-2-ol.
Chemical Property Profile of alpha-(2-Methylpropyl)benzeneethanol
Property Insights of alpha-(2-Methylpropyl)benzeneethanol
The XLogP value of 3.5 indicates that alpha-(2-Methylpropyl)benzeneethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-(2-Methylpropyl)benzeneethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2-Methylpropyl)benzeneethanol 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-(2-Methylpropyl)benzeneethanol?
The CAS number of alpha-(2-Methylpropyl)benzeneethanol is 7779-78-4.
What is the molecular formula of alpha-(2-Methylpropyl)benzeneethanol?
The molecular formula of alpha-(2-Methylpropyl)benzeneethanol is C12H18O.
What is the molecular weight of alpha-(2-Methylpropyl)benzeneethanol?
The molecular weight of alpha-(2-Methylpropyl)benzeneethanol is 178.14 g/mol.
Where can I buy alpha-(2-Methylpropyl)benzeneethanol?
You can request a quote for alpha-(2-Methylpropyl)benzeneethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2-Methylpropyl)benzeneethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2-Methylpropyl)benzeneethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.