3-Ethyl-o-cresol
TL;DR: 3-Ethyl-o-cresol (CAS 1123-73-5) is a chemical compound with molecular formula C9H12O and molecular weight 136.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-methylphenol
Also Known As: 3-ethyl-2-methylphenol, 3-Ethyl-o-cresol, o-Cresol, 3-ethyl-, Phenol, ethylmethyl-, ETHYLMETHYLPHENOL
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O |
| Molecular Weight | 136.08882 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 Da |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| SMILES | CCC1=C(C(=CC=C1)O)C |
| InChIKey | IVFJPARIJHUGPZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-o-cresol
Property Insights of 3-Ethyl-o-cresol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-o-cresol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Ethyl-o-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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
What is the CAS number of 3-Ethyl-o-cresol?
The CAS number of 3-Ethyl-o-cresol is 1123-73-5.
What is the molecular formula of 3-Ethyl-o-cresol?
The molecular formula of 3-Ethyl-o-cresol is C9H12O.
What is the molecular weight of 3-Ethyl-o-cresol?
The molecular weight of 3-Ethyl-o-cresol is 136.08882 g/mol.
Where can I buy 3-Ethyl-o-cresol?
You can request a quote for 3-Ethyl-o-cresol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-o-cresol?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-o-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.