5-Ethyl-o-cresol
TL;DR: 5-Ethyl-o-cresol (CAS 1687-65-6) 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.
5-ethyl-2-methylphenol
Also Known As: 5-Ethyl-o-cresol, 5-Ethyl-2-methylphenol, 2-methyl-5-ethylphenol, 5-Ethyl-2-methyl-phenol, CARVACROL
| 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 |
Chemical Identifiers
| CAS Number | 1687-65-6 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)C)O |
| InChIKey | AYGDIAGADYTJRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethyl-o-cresol (CAS 1687-65-6), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 5-ethyl-2-methylphenol.
Chemical Property Profile of 5-Ethyl-o-cresol
Property Insights of 5-Ethyl-o-cresol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-o-cresol. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Ethyl-o-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-o-cresol 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 5-Ethyl-o-cresol?
The CAS number of 5-Ethyl-o-cresol is 1687-65-6.
What is the molecular formula of 5-Ethyl-o-cresol?
The molecular formula of 5-Ethyl-o-cresol is C9H12O.
What is the molecular weight of 5-Ethyl-o-cresol?
The molecular weight of 5-Ethyl-o-cresol is 136.09 g/mol.
Where can I buy 5-Ethyl-o-cresol?
You can request a quote for 5-Ethyl-o-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-o-cresol?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-o-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.