3-(2-phenoxyethoxy)benzoic Acid
TL;DR: 3-(2-phenoxyethoxy)benzoic Acid (CAS 116495-73-9) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-phenoxyethoxy)benzoic acid
Also Known As: 3-(2-phenoxyethoxy)benzoic Acid, Sarafotoxin 6c (reduced), J2.536.851G, AN-329/13481004
Technical Specifications
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.0892 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0892 Da |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
| SMILES | C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)O |
| InChIKey | CFHDMBNOZUXRQR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-phenoxyethoxy)benzoic Acid
Property Insights of 3-(2-phenoxyethoxy)benzoic Acid
The XLogP value of 4.0 indicates that 3-(2-phenoxyethoxy)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(2-phenoxyethoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-phenoxyethoxy)benzoic Acid has 1 hydrogen bond donor(s) and 4 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-phenoxyethoxy)benzoic Acid?
The CAS number of 3-(2-phenoxyethoxy)benzoic Acid is 116495-73-9.
What is the molecular formula of 3-(2-phenoxyethoxy)benzoic Acid?
The molecular formula of 3-(2-phenoxyethoxy)benzoic Acid is C15H14O4.
What is the molecular weight of 3-(2-phenoxyethoxy)benzoic Acid?
The molecular weight of 3-(2-phenoxyethoxy)benzoic Acid is 258.0892 g/mol.
Where can I buy 3-(2-phenoxyethoxy)benzoic Acid?
You can request a quote for 3-(2-phenoxyethoxy)benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-phenoxyethoxy)benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(2-phenoxyethoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.