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4-O-Methylbavachalcone

CAT: 0607-BA2287-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2287-10Size:10 mg
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CAS Number
20784-60-5
Form
A solid
Molecular Formula
C21H22O4
Molecular Weight
338.40
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

4'-O-Methylbavachalcone

4'-O-methylbavachalcone is a member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively. It has a role as a plant metabolite. It is a member of chalcones, a member of phenols and an aromatic ether.

CAS Number20784-60-5
PubChem CID42607530
IUPAC Name(E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC22H24O4
Molecular Weight352.4
XLogP5.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity498
SMILES
CC(=CCC1=CC(=C(C=C1OC)O)C(=O)/C=C/C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C22H24O4/c1-15(2)5-9-17-13-19(21(24)14-22(17)26-4)20(23)12-8-16-6-10-18(25-3)11-7-16/h5-8,10-14,24H,9H2,1-4H3/b12-8+
InChIKey
GCEGUTHXMYHGKF-XYOKQWHBSA-N
Chemical Structure
2D Structure
2D structure of 4'-O-Methylbavachalcone
CAS: 20784-60-5
CID: 42607530
Formula: C22H24O4
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass352.16745924
Monoisotopic Mass352.16745924
Topological Polar Surface Area55.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity498
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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