2-(2-Methylphenoxy)butanoic acid
TL;DR: 2-(2-Methylphenoxy)butanoic acid (CAS 161790-50-7) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methylphenoxy)butanoic acid
Also Known As: 2-(2-methylphenoxy)butanoic acid, 2-o-Tolyloxy-butyric acid, 2-(o-Tolyloxy)butanoic acid, 2-methylphenoxybutyric acid, Butanoic acid, 2-(2-methylphenoxy)-
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| SMILES | CCC(C(=O)O)OC1=CC=CC=C1C |
| InChIKey | IHCFDXGPIABNTN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Methylphenoxy)butanoic acid
Property Insights of 2-(2-Methylphenoxy)butanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methylphenoxy)butanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(2-Methylphenoxy)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methylphenoxy)butanoic acid 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-(2-Methylphenoxy)butanoic acid?
The CAS number of 2-(2-Methylphenoxy)butanoic acid is 161790-50-7.
What is the molecular formula of 2-(2-Methylphenoxy)butanoic acid?
The molecular formula of 2-(2-Methylphenoxy)butanoic acid is C11H14O3.
What is the molecular weight of 2-(2-Methylphenoxy)butanoic acid?
The molecular weight of 2-(2-Methylphenoxy)butanoic acid is 194.0943 g/mol.
Where can I buy 2-(2-Methylphenoxy)butanoic acid?
You can request a quote for 2-(2-Methylphenoxy)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Methylphenoxy)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Methylphenoxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.