m-Isopropylphenethyl alcohol
TL;DR: m-Isopropylphenethyl alcohol (CAS 68480-22-8) 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-(3-propan-2-ylphenyl)ethanol
Also Known As: m-Isopropylphenethyl alcohol, Benzeneethanol, 3-(1-methylethyl)-, 3-iso-Propylphenethyl alcohol, 2-[3-(propan-2-yl)phenyl]ethan-1-ol, 3-isopropyl-phenethyl alcohol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.6 |
| 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 | 120.0 |
Chemical Identifiers
| CAS Number | 68480-22-8 |
|---|---|
| SMILES | CC(C)C1=CC=CC(=C1)CCO |
| InChIKey | ZNRBQJLZGSDXDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
m-Isopropylphenethyl alcohol (CAS 68480-22-8), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-(3-propan-2-ylphenyl)ethanol.
Chemical Property Profile of m-Isopropylphenethyl alcohol
Property Insights of m-Isopropylphenethyl alcohol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Isopropylphenethyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, m-Isopropylphenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Isopropylphenethyl alcohol 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 m-Isopropylphenethyl alcohol?
The CAS number of m-Isopropylphenethyl alcohol is 68480-22-8.
What is the molecular formula of m-Isopropylphenethyl alcohol?
The molecular formula of m-Isopropylphenethyl alcohol is C11H16O.
What is the molecular weight of m-Isopropylphenethyl alcohol?
The molecular weight of m-Isopropylphenethyl alcohol is 164.12 g/mol.
Where can I buy m-Isopropylphenethyl alcohol?
You can request a quote for m-Isopropylphenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Isopropylphenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for m-Isopropylphenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.