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2'-Hydroxy-4,4',6'-trimethoxychalcone

CAT: 0572-TRC-H214235-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H214235-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3420-72-2
Synonyms
Flavokawain A (cis/trans mixture); Flavokavain A (cis/trans mixture)
Hazard Statement
Causes skin irritation.
Smiles
COc1ccc(C=CC(=O)c2c(O)cc(OC)cc2OC)cc1
Molecular Formula
C18 H18 O5
Molecular Weight
314.33
InChI
InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3
Additionnal Information
IUPAC name: 1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Flavokawain A

Flavokawain A is a member of chalcones.

CAS Number3420-72-2
PubChem CID5355469
IUPAC Name(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC18H18O5
Molecular Weight314.3
XLogP3.8
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity400
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O
InChI
InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
InChIKey
CGIBCVBDFUTMPT-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of Flavokawain A
CAS: 3420-72-2
CID: 5355469
Formula: C18H18O5
MW: 314.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.3
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass314.11542367
Monoisotopic Mass314.11542367
Topological Polar Surface Area65 Ų
Heavy Atom Count23
Formal Charge0
Complexity400
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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