TL;DR: 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- (CAS 133567-73-4) is a chemical compound with molecular formula C17H11ClO2 and molecular weight 282.04477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenyl)ethenyl]chromen-4-one
Also Known As: (E)-2-(4-Chlorostyryl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]-, 2-[(1E)-2-(4-chlorophenyl)ethenyl]-4H-chromen-4-one, 2-[2-(4-Chlorophenyl)ethen-1-yl]-4H-1-benzopyran-4-one
| Molecular Formula | C17H11ClO2 |
| Molecular Weight | 282.04477 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.04477 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(O2)C=CC3=CC=C(C=C3)Cl |
| InChIKey | AJMJHCQXIRINSY-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- 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 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- is 133567-73-4.
The molecular formula of 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- is C17H11ClO2.
The molecular weight of 4H-1-Benzopyran-4-one, 2-[(1E)-2-(4-chlorophenyl)ethenyl]- is 282.04477 g/mol.
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