1-(2-Methylphenyl)ethane-1,2-diol
TL;DR: 1-(2-Methylphenyl)ethane-1,2-diol (CAS 81065-80-7) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)ethane-1,2-diol
Also Known As: 1-(2-methylphenyl)ethane-1,2-diol, 1,2-Ethanediol, 1-(methylphenyl)-, 1-(2-Methylphenyl)-1,2-ethanediol, 3-methyl-3-(1'-naphthyl)-1-butene, 1,2-Ethanediol, 1-(2-methylphenyl)-
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 81065-80-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(CO)O |
| InChIKey | PZVFDCSRCQQLTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Methylphenyl)ethane-1,2-diol (CAS 81065-80-7), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: 1-(2-methylphenyl)ethane-1,2-diol.
Chemical Property Profile of 1-(2-Methylphenyl)ethane-1,2-diol
Property Insights of 1-(2-Methylphenyl)ethane-1,2-diol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylphenyl)ethane-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(2-Methylphenyl)ethane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylphenyl)ethane-1,2-diol has 2 hydrogen bond donor(s) and 2 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 1-(2-Methylphenyl)ethane-1,2-diol?
The CAS number of 1-(2-Methylphenyl)ethane-1,2-diol is 81065-80-7.
What is the molecular formula of 1-(2-Methylphenyl)ethane-1,2-diol?
The molecular formula of 1-(2-Methylphenyl)ethane-1,2-diol is C9H12O2.
What is the molecular weight of 1-(2-Methylphenyl)ethane-1,2-diol?
The molecular weight of 1-(2-Methylphenyl)ethane-1,2-diol is 152.08 g/mol.
Where can I buy 1-(2-Methylphenyl)ethane-1,2-diol?
You can request a quote for 1-(2-Methylphenyl)ethane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylphenyl)ethane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylphenyl)ethane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.