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4'-Hydroxy-2,4-dimethoxychalcone

CAT: 0127-BUP00372-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00372-01Size:1 mg
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CAS Number
151135-64-7
Purity
=98%
Smiles
COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c(OC)c1

Chemical Information

4'-Hydroxy-2,4-dimethoxychalcone

(E)-3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one has been reported in Dracaena draco with data available.

CAS Number151135-64-7
PubChem CID5729232
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP3.3
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=CC=C(C=C2)O)OC
InChI
InChI=1S/C17H16O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11,18H,1-2H3/b10-6+
InChIKey
LNEYYODFMSUKGY-UXBLZVDNSA-N
Chemical Structure
2D Structure
2D structure of 4'-Hydroxy-2,4-dimethoxychalcone
CAS: 151135-64-7
CID: 5729232
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP33.3
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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