TL;DR: 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- (CAS 159180-86-6) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-hydroxyphenyl)ethenyl]chromen-4-one
Also Known As: 2-(4-hydroxystyryl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]-, 2-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4H-chromen-4-one, 2-[2-(4-Hydroxyphenyl)ethen-1-yl]-4H-1-benzopyran-4-one
| Molecular Formula | C17H12O3 |
| Molecular Weight | 264.07864 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.07864 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(O2)C=CC3=CC=C(C=C3)O |
| InChIKey | ISGWXGAFFYUDTI-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- has 1 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 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- is 159180-86-6.
The molecular formula of 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- is C17H12O3.
The molecular weight of 4H-1-Benzopyran-4-one, 2-[2-(4-hydroxyphenyl)ethenyl]- is 264.07864 g/mol.
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