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5-Methyl-7-methoxyisoflavone

CAT: 0572-TRC-M339668-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M339668-10GSize:10 g
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CAS Number
82517-12-2
Synonyms
7-Methoxy-5-methyl-3-phenyl-4H-1-benzopyran-4-one
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
COc1cc(C)c2C(=O)C(=COc2c1)c3ccccc3
Molecular Formula
C17 H14 O3
Molecular Weight
266.29
InChI
InChI=1S/C17H14O3/c1-11-8-13(19-2)9-15-16(11)17(18)14(10-20-15)12-6-4-3-5-7-12/h3-10H,1-2H3
Additionnal Information
IUPAC name: 7-methoxy-5-methyl-3-phenyl-chromen-4-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Methyl-7-methoxyisoflavone

a performance-enhancing drug; structure in first source

CAS Number82517-12-2
PubChem CID2734290
IUPAC Name7-methoxy-5-methyl-3-phenylchromen-4-one
Molecular FormulaC17H14O3
Molecular Weight266.29
XLogP3.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity395
SMILES
CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)OC
InChI
InChI=1S/C17H14O3/c1-11-8-13(19-2)9-15-16(11)17(18)14(10-20-15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
WGOUYULOZZRTFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-7-methoxyisoflavone
CAS: 82517-12-2
CID: 2734290
Formula: C17H14O3
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass266.094294304
Monoisotopic Mass266.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes