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7,3',4',5'-Tetramethoxyflavanone

CAT: 0926-FT67102-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FT67102-01Size:0.5 g
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CAS Number
138469-47-3
MDL Number
MFCD05861595
Smiles
COc1ccc2C (=O) CC (Oc2c1) c3cc (OC) c (OC) c (OC) c3
Molecular Formula
C19H20O6
Molecular Weight
344.36 g/mol
Controlled
No

Chemical Information

7,3',4',5'-Tetramethoxyflavanone
CAS Number138469-47-3
PubChem CID11842476
IUPAC Name7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP2.8
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity441
SMILES
COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-12-5-6-13-14(20)10-15(25-16(13)9-12)11-7-17(22-2)19(24-4)18(8-11)23-3/h5-9,15H,10H2,1-4H3
InChIKey
CFUKYQSRIQIJIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7,3',4',5'-Tetramethoxyflavanone
CAS: 138469-47-3
CID: 11842476
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19237021-01(2S) -5,7,3,4-tetramethoxyflavanone
MBS5802057(2S) -5,7,3',4'-tetramethoxyflavanone
GTR19179362-015,6,7,4'-Tetramethoxyflavanone
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AB21595,7,3',4',5'-Pentamethoxyflavone
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MBS36045973', 4', 5', 5,7-Pentamethoxyflavanone
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