3-(4-Difluoromethoxy-phenyl)-acrylic acid
TL;DR: 3-(4-Difluoromethoxy-phenyl)-acrylic acid (CAS 127842-70-0) is a chemical compound with molecular formula C10H8F2O3 and molecular weight 214.04414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(difluoromethoxy)phenyl]prop-2-enoic acid
Also Known As: 4-(Difluoromethoxy)cinnamic acid, 3-(4-Difluoromethoxy-phenyl)-acrylic acid, 3-[4-(difluoromethoxy)phenyl]prop-2-enoic Acid, 2-Benzyl-1,3-dimethylcyclohexanol, 2-Propenoic acid, 3-[4-(difluoromethoxy)phenyl]-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8F2O3 |
| Molecular Weight | 214.04414 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.04414 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)OC(F)F |
| InChIKey | OWLKYWTYLFJOGX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Difluoromethoxy-phenyl)-acrylic acid
Property Insights of 3-(4-Difluoromethoxy-phenyl)-acrylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Difluoromethoxy-phenyl)-acrylic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-Difluoromethoxy-phenyl)-acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Difluoromethoxy-phenyl)-acrylic acid has 1 hydrogen bond donor(s) and 5 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-(4-Difluoromethoxy-phenyl)-acrylic acid?
The CAS number of 3-(4-Difluoromethoxy-phenyl)-acrylic acid is 127842-70-0.
What is the molecular formula of 3-(4-Difluoromethoxy-phenyl)-acrylic acid?
The molecular formula of 3-(4-Difluoromethoxy-phenyl)-acrylic acid is C10H8F2O3.
What is the molecular weight of 3-(4-Difluoromethoxy-phenyl)-acrylic acid?
The molecular weight of 3-(4-Difluoromethoxy-phenyl)-acrylic acid is 214.04414 g/mol.
Where can I buy 3-(4-Difluoromethoxy-phenyl)-acrylic acid?
You can request a quote for 3-(4-Difluoromethoxy-phenyl)-acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Difluoromethoxy-phenyl)-acrylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Difluoromethoxy-phenyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.