4-Iodo-2,5-dimethylphenol
TL;DR: 4-Iodo-2,5-dimethylphenol (CAS 114971-53-8) is a chemical compound with molecular formula C8H9IO and molecular weight 247.9698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-2,5-dimethylphenol
Also Known As: 2,5-Dimethyl-4-iodophenol, 4-iodo-2,5-dimethylphenol, Phenol, 4-iodo-2,5-dimethyl-, 4-iodo-2,5-dimethyl-phenol, 4-Iodo-2,5-xylenol
Technical Specifications
| Molecular Formula | C8H9IO |
| Molecular Weight | 247.9698 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.9698 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| SMILES | CC1=CC(=C(C=C1I)C)O |
| InChIKey | RFAXNKKOQUYDKE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Iodo-2,5-dimethylphenol
Property Insights of 4-Iodo-2,5-dimethylphenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-2,5-dimethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Iodo-2,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-2,5-dimethylphenol has 1 hydrogen bond donor(s) and 1 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-Iodo-2,5-dimethylphenol?
The CAS number of 4-Iodo-2,5-dimethylphenol is 114971-53-8.
What is the molecular formula of 4-Iodo-2,5-dimethylphenol?
The molecular formula of 4-Iodo-2,5-dimethylphenol is C8H9IO.
What is the molecular weight of 4-Iodo-2,5-dimethylphenol?
The molecular weight of 4-Iodo-2,5-dimethylphenol is 247.9698 g/mol.
Where can I buy 4-Iodo-2,5-dimethylphenol?
You can request a quote for 4-Iodo-2,5-dimethylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Iodo-2,5-dimethylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Iodo-2,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.