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4-O-Methylfisetin

CAT: 0572-TRC-M295935-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M295935-100MGSize:100 mg
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CAS Number
57396-72-2
Synonyms
3,3',7-Trihydroxy-4'-methoxy-flavone;
Hazard Statement
No Data Available
Smiles
OC1=CC(C2=C(O)C(C3=CC=C(O)C=C3O2)=O)=CC=C1OC
Molecular Formula
C16H12O6
Molecular Weight
300.26
InChI
InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3
Additionnal Information
IUPAC name: 3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
Shipping Conditions
Room Temperature

Chemical Information

3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

3,3',7-Trihydroxy-4'-methoxyflavone is a hydroxyflavan.

CAS Number57396-72-2
PubChem CID5378244
IUPAC Name3,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Molecular FormulaC16H12O6
Molecular Weight300.26
XLogP2.3
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity473
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3
InChIKey
QVYSSMFEUBQBEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS: 57396-72-2
CID: 5378244
Formula: C16H12O6
MW: 300.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.26
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass300.06338810
Monoisotopic Mass300.06338810
Topological Polar Surface Area96.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity473
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

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