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2',4'-Dihydroxy-2,3',6'-trimethoxychalcone

CAT: 0926-AEA07939-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-AEA07939-01Size:10 mg
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CAS Number
100079-39-8
MDL Number
MFCD19441024
Smiles
COC1=CC=CC=C1C=CC (=O) C2=C (C=C (C (=C2O) OC) O) OC
Molecular Formula
C18H18O6
Molecular Weight
330.3 g/mol
Controlled
No

Chemical Information

2',4'-Dihydroxy-2,3',6'-trimethoxychalcone

(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one has been reported in Scutellaria discolor and Scutellaria barbata with data available.

CAS Number100079-39-8
PubChem CID21636239
IUPAC Name(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC18H18O6
Molecular Weight330.3
XLogP3.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity437
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C(=C2O)OC)O)OC
InChI
InChI=1S/C18H18O6/c1-22-14-7-5-4-6-11(14)8-9-12(19)16-15(23-2)10-13(20)18(24-3)17(16)21/h4-10,20-21H,1-3H3/b9-8+
InChIKey
CRKKMWPCJTZZRE-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
CAS: 100079-39-8
CID: 21636239
Formula: C18H18O6
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass330.11033829
Monoisotopic Mass330.11033829
Topological Polar Surface Area85.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity437
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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