3-Ethyl-5-methylphenol
TL;DR: 3-Ethyl-5-methylphenol (CAS 698-71-5) 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.
3-ethyl-5-methylphenol
Also Known As: 3-ETHYL-5-METHYLPHENOL, m-Cresol, 5-ethyl-, 3-Methyl-5-ethylphenol, 5-Ethyl-m-cresol, Phenol, 3-ethyl-5-methyl-
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Melting Point | 54 °C |
| Solubility | 2.32 mg/mL at 25 °C |
Chemical Identifiers
| CAS Number | 698-71-5 |
|---|---|
| SMILES | CCC1=CC(=CC(=C1)C)O |
| InChIKey | XTCHLXABLZQNNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-5-methylphenol (CAS 698-71-5), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 3-ethyl-5-methylphenol.
Chemical Property Profile of 3-Ethyl-5-methylphenol
Property Insights of 3-Ethyl-5-methylphenol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-methylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Ethyl-5-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-5-methylphenol 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-Ethyl-5-methylphenol?
The CAS number of 3-Ethyl-5-methylphenol is 698-71-5.
What is the molecular formula of 3-Ethyl-5-methylphenol?
The molecular formula of 3-Ethyl-5-methylphenol is C9H12O.
What is the molecular weight of 3-Ethyl-5-methylphenol?
The molecular weight of 3-Ethyl-5-methylphenol is 136.09 g/mol.
Where can I buy 3-Ethyl-5-methylphenol?
You can request a quote for 3-Ethyl-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.