3-(2-Methylphenoxy)benzoic acid
TL;DR: 3-(2-Methylphenoxy)benzoic acid (CAS 135611-26-6) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylphenoxy)benzoic acid
Also Known As: 3-(2-Methylphenoxy)benzoic acid, 3-(O-tolyloxy)benzoicacid, 3-(o-tolyloxy)benzoic acid, 3-(2-Methylphenoxy)benzoicacid, 3PBD-S03-0
Technical Specifications
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.07864 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | CC1=CC=CC=C1OC2=CC=CC(=C2)C(=O)O |
| InChIKey | ABEYEGNTRDVDCR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylphenoxy)benzoic acid
Property Insights of 3-(2-Methylphenoxy)benzoic acid
The XLogP value of 3.3 indicates that 3-(2-Methylphenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(2-Methylphenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylphenoxy)benzoic 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 3-(2-Methylphenoxy)benzoic acid?
The CAS number of 3-(2-Methylphenoxy)benzoic acid is 135611-26-6.
What is the molecular formula of 3-(2-Methylphenoxy)benzoic acid?
The molecular formula of 3-(2-Methylphenoxy)benzoic acid is C14H12O3.
What is the molecular weight of 3-(2-Methylphenoxy)benzoic acid?
The molecular weight of 3-(2-Methylphenoxy)benzoic acid is 228.07864 g/mol.
Where can I buy 3-(2-Methylphenoxy)benzoic acid?
You can request a quote for 3-(2-Methylphenoxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methylphenoxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylphenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.