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Phloretin

CAT: 0926-FP06961-01Size: 0.025 kgDry Ice: NoHazardous: No
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CAT#:0926-FP06961-01Size:0.025 kg
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CAS Number
60-82-2
Synonyms
4,2',4',6'-Tetrahydroxydihydrochalcone;2,4,6-Trihydroxy-3- (4-hydroxyphenyl) propiophenone;3- (4-Hydroxyphenyl) -1- (2,4,6-trihydroxyphen yl) -1-propanone; β- (4-Hydroxyphenyl) -2,4,6-trihydroxypropiophenone
MDL Number
MFCD00002288
Smiles
C1=CC (=CC=C1CCC (=O) C2=C (C=C (C=C2O) O) O) O
Molecular Formula
C15H14O5
Molecular Weight
274.27 g/mol
Controlled
No

Chemical Information

Phloretin

Phloretin is a member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. It has a role as an antineoplastic agent and a plant metabolite. It is functionally related to a dihydrochalcone.

CAS Number60-82-2
PubChem CID4788
IUPAC Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Molecular FormulaC15H14O5
Molecular Weight274.27
XLogP2.6
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity312
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
InChIKey
VGEREEWJJVICBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phloretin
CAS: 60-82-2
CID: 4788
Formula: C15H14O5
MW: 274.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.27
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass274.08412354
Monoisotopic Mass274.08412354
Topological Polar Surface Area98 Ų
Heavy Atom Count20
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M18884-01Phloretin
MBS8506141-01Phloretin (Dihydronaringenin)

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