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4,4'-Dimethoxy-2'-hydroxychalcone

CAT: 0926-FD66388-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FD66388-02Size:250 mg
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CAS Number
2198-19-8
Synonyms
1- (2-Hydroxy-4-methoxyphenyl) -3- (4-methoxyphenyl) prop-2-en-1-one
MDL Number
MFCD00098911
Smiles
COC1=CC=C (C=C1) /C=C/C (=O) C2=C (C=C (C=C2) OC) O
Molecular Formula
C17H16O4
Molecular Weight
284.31 g/mol
Controlled
No

Chemical Information

(E)-1-(2-Hydroxy-4-Methoxyphenyl)-3-(4-Methoxyphenyl)Prop-2-En-1-One

Isoliquiritigenin 4,4'-dimethyl ether is a member of chalcones.

CAS Number2198-19-8
PubChem CID5357488
IUPAC Name(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity358
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3/b10-5+
InChIKey
OAAPAFSEMHJNTF-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of (E)-1-(2-Hydroxy-4-Methoxyphenyl)-3-(4-Methoxyphenyl)Prop-2-En-1-One
CAS: 2198-19-8
CID: 5357488
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area55.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity358
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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PC65373,4-Dimethoxy-5'-fluoro-2'-hydroxychalcone
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