3-Methylbenzyl alcohol
TL;DR: 3-Methylbenzyl alcohol (CAS 587-03-1) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)methanol
Also Known As: 3-METHYLBENZYL ALCOHOL, m-tolylmethanol, (3-Methylphenyl)methanol, m-Tolyl carbinol, m-Tolualcohol
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 587-03-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CO |
| InChIKey | JJCKHVUTVOPLBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbenzyl alcohol (CAS 587-03-1), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: (3-methylphenyl)methanol.
Chemical Property Profile of 3-Methylbenzyl alcohol
Property Insights of 3-Methylbenzyl alcohol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methylbenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzyl 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 3-Methylbenzyl alcohol?
The CAS number of 3-Methylbenzyl alcohol is 587-03-1.
What is the molecular formula of 3-Methylbenzyl alcohol?
The molecular formula of 3-Methylbenzyl alcohol is C8H10O.
What is the molecular weight of 3-Methylbenzyl alcohol?
The molecular weight of 3-Methylbenzyl alcohol is 122.07 g/mol.
Where can I buy 3-Methylbenzyl alcohol?
You can request a quote for 3-Methylbenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.