3-Iodophenylacetic acid
TL;DR: 3-Iodophenylacetic acid (CAS 110167-20-9) is a chemical compound with molecular formula C8H7IO2 and molecular weight 261.94907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-iodophenyl)acetic acid
Also Known As: 3-Iodophenylacetic acid, 2-(3-Iodophenyl)acetic acid, Benzeneacetic acid, 3-iodo-, (3-Iodophenyl)acetic acid, m-IODOPHENYLACETIC ACID
Technical Specifications
| Molecular Formula | C8H7IO2 |
| Molecular Weight | 261.94907 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.94907 Da |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
| SMILES | C1=CC(=CC(=C1)I)CC(=O)O |
| InChIKey | MRSWWBAFGGGWRH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Iodophenylacetic acid
Property Insights of 3-Iodophenylacetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Iodophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodophenylacetic acid has 1 hydrogen bond donor(s) and 2 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-Iodophenylacetic acid?
The CAS number of 3-Iodophenylacetic acid is 110167-20-9.
What is the molecular formula of 3-Iodophenylacetic acid?
The molecular formula of 3-Iodophenylacetic acid is C8H7IO2.
What is the molecular weight of 3-Iodophenylacetic acid?
The molecular weight of 3-Iodophenylacetic acid is 261.94907 g/mol.
Where can I buy 3-Iodophenylacetic acid?
You can request a quote for 3-Iodophenylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Iodophenylacetic acid?
Yes, CoreyChem provides custom synthesis services for 3-Iodophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.