TL;DR: (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CAS 1182060-09-8) is a chemical compound with molecular formula C16H12ClFO2 and molecular weight 290.051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, (E)-3-(2-chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, (E)-3-(2-chloro-6-fluoro-phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H12ClFO2 |
| Molecular Weight | 290.051 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.051 Da |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C=CC=C2Cl)F |
| InChIKey | SYWPISLYEPCTAP-MDZDMXLPSA-N |
The XLogP value of 4.4 indicates that (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-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 26.3 Ų, (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is 1182060-09-8.
The molecular formula of (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is C16H12ClFO2.
The molecular weight of (2E)-3-(2-Chloro-6-fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is 290.051 g/mol.
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