TL;DR: 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one (CAS 14548-42-6) is a chemical compound with molecular formula C15H11IO and molecular weight 333.98547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-iodophenyl)-1-phenylprop-2-en-1-one
Also Known As: 4-iodo-chalcone, 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one, 2-Propen-1-one, 3-(4-iodophenyl)-1-phenyl-
| Molecular Formula | C15H11IO |
| Molecular Weight | 333.98547 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.98547 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)I |
| InChIKey | CKOASMDIUOUHGN-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one is 14548-42-6.
The molecular formula of 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one is C15H11IO.
The molecular weight of 3-(4-Iodophenyl)-1-phenylprop-2-en-1-one is 333.98547 g/mol.
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