TL;DR: 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one (CAS 1381931-23-2) is a chemical compound with molecular formula C16H13IO2 and molecular weight 363.99603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-iodophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
Also Known As: 1-(4-iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one, (2E)-1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one, AF-399/41753378, (E)-1-(4-iodophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one, (2E)-1-(4-iodophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H13IO2 |
| Molecular Weight | 363.99603 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.99603 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | COC1=CC=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)I |
| InChIKey | PKRSIYJATIXDMB-BJMVGYQFSA-N |
The XLogP value of 4.3 indicates that 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one is 1381931-23-2.
The molecular formula of 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one is C16H13IO2.
The molecular weight of 1-(4-Iodophenyl)-3-(3-methoxyphenyl)-2-propen-1-one is 363.99603 g/mol.
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