TL;DR: (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CAS 1002898-11-4) is a chemical compound with molecular formula C17H15FO and molecular weight 254.11069 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(2,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
Also Known As: (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one, (E)-1-(2,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
| Molecular Formula | C17H15FO |
| Molecular Weight | 254.11069 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.11069 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)F)C |
| InChIKey | IFULKEBQZWLSPO-VQHVLOKHSA-N |
The XLogP value of 4.5 indicates that (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)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 17.1 Ų, (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-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 (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is 1002898-11-4.
The molecular formula of (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is C17H15FO.
The molecular weight of (2E)-1-(2,4-Dimethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one is 254.11069 g/mol.
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