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Cardamonin

CAT: 0127-BUP05834-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05834-02Size:10 mg
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CAS Number
18956-16-6
Synonyms
Cardamomin, Alpinetin chalcone
Purity
=98%
Smiles
O=C(C=CC=1C=CC=CC1)C=2C(O)=CC(O)=CC2OC

Chemical Information

2',4'-Dihydroxy-6'-methoxychalcone

1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one has been reported in Cedrelopsis grevei, Boesenbergia rotunda, and other organisms with data available.

CAS Number18956-16-6
PubChem CID154102
IUPAC Name1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP3.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O
InChI
InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3
InChIKey
NYSZJNUIVUBQMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',4'-Dihydroxy-6'-methoxychalcone
CAS: 18956-16-6
CID: 154102
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area66.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FC66017-01Cardamonin
GTR19162923-01Cardamonin?

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