2-(5-Isoxazolyl)-4-methylphenol
TL;DR: 2-(5-Isoxazolyl)-4-methylphenol (CAS 104516-57-6) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-(1,2-oxazol-5-yl)phenol
Also Known As: 2-(5-Isoxazolyl)-4-methylphenol, 2-isoxazol-5-yl-4-methylphenol, 4-methyl-2-(1,2-oxazol-5-yl)phenol, Phenol,2-(5-isoxazolyl)-4-methyl-, 2-(isoxazol-5-yl)-4-methylphenol
Technical Specifications
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.06332 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06332 Da |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
| SMILES | CC1=CC(=C(C=C1)O)C2=CC=NO2 |
| InChIKey | OZKYVNKXVHASGF-UHFFFAOYSA-N |
Chemical Property Profile of 2-(5-Isoxazolyl)-4-methylphenol
Property Insights of 2-(5-Isoxazolyl)-4-methylphenol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Isoxazolyl)-4-methylphenol. With a topological polar surface area (TPSA) of 46.3 Ų, 2-(5-Isoxazolyl)-4-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Isoxazolyl)-4-methylphenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(5-Isoxazolyl)-4-methylphenol?
The CAS number of 2-(5-Isoxazolyl)-4-methylphenol is 104516-57-6.
What is the molecular formula of 2-(5-Isoxazolyl)-4-methylphenol?
The molecular formula of 2-(5-Isoxazolyl)-4-methylphenol is C10H9NO2.
What is the molecular weight of 2-(5-Isoxazolyl)-4-methylphenol?
The molecular weight of 2-(5-Isoxazolyl)-4-methylphenol is 175.06332 g/mol.
Where can I buy 2-(5-Isoxazolyl)-4-methylphenol?
You can request a quote for 2-(5-Isoxazolyl)-4-methylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-Isoxazolyl)-4-methylphenol?
Yes, CoreyChem provides custom synthesis services for 2-(5-Isoxazolyl)-4-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.