4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-


Chemical Name: 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
CAS Number: 13057-72-2
Product Number: AG000UNE(AGN-PC-0LQGBP)
Synonyms:
MDL No:
Molecular Formula: C15H10O3
Molecular Weight: 238.2381

Identification/Properties


Computed Properties
Molecular Weight:
238.242g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
238.063g/mol
Monoisotopic Mass:
238.063g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
355
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



7-Hydroxy-3-phenyl-4H-chromen-4-one, also known as $name$, serves as a valuable intermediate in chemical synthesis due to its versatile reactivity and unique structural features. This compound finds application in the production of various pharmaceuticals, agrochemicals, and fine chemicals. In chemical synthesis, $name$ is commonly employed as a key building block in the synthesis of complex molecules, thanks to its ability to participate in diverse chemical transformations.One important use of 7-Hydroxy-3-phenyl-4H-chromen-4-one is as a precursor for the synthesis of coumarin derivatives, a class of compounds with diverse pharmacological activities. By functionalizing the hydroxyl or phenyl group present in $name$, chemists can introduce different substituents to modulate the biological properties of the resulting coumarin derivatives. Additionally, the chromenone scaffold of $name$ can be further elaborated through various chemical reactions to access structurally diverse molecules for drug discovery and development purposes.Furthermore, 7-Hydroxy-3-phenyl-4H-chromen-4-one serves as a valuable synthetic intermediate in the preparation of natural product analogs, fluorescent probes, and materials with specific electronic properties. Its molecular structure provides a platform for introducing functionalities that can alter its solubility, stability, and reactivity, making it a versatile starting material for designing new chemical entities.In summary, the strategic position of functional groups in 7-Hydroxy-3-phenyl-4H-chromen-4-one enables chemists to access a wide array of derivatives with tailored properties for applications in medicinal chemistry, materials science, and other fields requiring advanced chemical synthesis techniques.