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4'-Hydroxychalcone

CAT: 0127-BUP16799-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-BUP16799-01Size:5 g
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CAS Number
2657-25-2
Synonyms
2-Benzal-4-Hydroxyacetophenone
Purity
=98%
Smiles
OC1=CC=C(C=C1)C(=O)\C=C\C1=CC=CC=C1

Chemical Information

4'-Hydroxychalcone

4'-hydroxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'. It has a role as an antineoplastic agent and an anti-inflammatory agent. It is a member of chalcones and a member of phenols.

CAS Number2657-25-2
PubChem CID5282362
IUPAC Name(E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one
Molecular FormulaC15H12O2
Molecular Weight224.25
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity269
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+
InChIKey
UAHGNXFYLAJDIN-IZZDOVSWSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxychalcone
CAS: 2657-25-2
CID: 5282362
Formula: C15H12O2
MW: 224.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.25
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass224.083729621
Monoisotopic Mass224.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
B1921-10004'-Hydroxychalcone
GTR19171121-014-Hydroxychalcone

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