4-Ethoxymethyl-benzoic acid
TL;DR: 4-Ethoxymethyl-benzoic acid (CAS 146781-28-4) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(ethoxymethyl)benzoic acid
Also Known As: 4-(ethoxymethyl)benzoic acid, 4-Ethoxymethyl-benzoic acid, Benzoic acid, 4-(ethoxymethyl)-, 4-ethoxymethylbenzoic acid, 4-(ethoxymethyl)benzoicacid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| SMILES | CCOCC1=CC=C(C=C1)C(=O)O |
| InChIKey | XSNKLGMYKSJLHQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethoxymethyl-benzoic acid
Property Insights of 4-Ethoxymethyl-benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxymethyl-benzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Ethoxymethyl-benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxymethyl-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 4-Ethoxymethyl-benzoic acid?
The CAS number of 4-Ethoxymethyl-benzoic acid is 146781-28-4.
What is the molecular formula of 4-Ethoxymethyl-benzoic acid?
The molecular formula of 4-Ethoxymethyl-benzoic acid is C10H12O3.
What is the molecular weight of 4-Ethoxymethyl-benzoic acid?
The molecular weight of 4-Ethoxymethyl-benzoic acid is 180.07864 g/mol.
Where can I buy 4-Ethoxymethyl-benzoic acid?
You can request a quote for 4-Ethoxymethyl-benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethoxymethyl-benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Ethoxymethyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.