4-Methylphenethyl alcohol
TL;DR: 4-Methylphenethyl alcohol (CAS 699-02-5) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)ethanol
Also Known As: 2-(p-Tolyl)ethanol, 2-(4-Methylphenyl)ethanol, 4-Methylphenethyl alcohol, 2-p-Tolylethanol, Benzeneethanol, 4-methyl-
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 699-02-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCO |
| InChIKey | DAVFJRVIVZOKKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylphenethyl alcohol (CAS 699-02-5), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2-(4-methylphenyl)ethanol.
Chemical Property Profile of 4-Methylphenethyl alcohol
Property Insights of 4-Methylphenethyl alcohol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenethyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methylphenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenethyl 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 4-Methylphenethyl alcohol?
The CAS number of 4-Methylphenethyl alcohol is 699-02-5.
What is the molecular formula of 4-Methylphenethyl alcohol?
The molecular formula of 4-Methylphenethyl alcohol is C9H12O.
What is the molecular weight of 4-Methylphenethyl alcohol?
The molecular weight of 4-Methylphenethyl alcohol is 136.09 g/mol.
Where can I buy 4-Methylphenethyl alcohol?
You can request a quote for 4-Methylphenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.