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3-O-Methylfisetin

CAT: 0572-TRC-M295940-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M295940-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20870-06-8
Synonyms
3',4',7-Trihydroxy-3-methoxy-flavone-d3; 7,3',4'-Trihydroxy-3-methoxyflavone; 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-methoxy-4H-1-benzopyran-4-one
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
COC1=C(Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3
Molecular Formula
C16 H12 O6
Molecular Weight
300.263
InChI
InChI=1S/C16H12O6/c1-21-16-14(20)10-4-3-9(17)7-13(10)22-15(16)8-2-5-11(18)12(19)6-8/h2-7,17-19H,1H3
Additionnal Information
IUPAC name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxychromen-4-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Fisetin 3-methyl ether

Fisetin 3-methyl ether is an ether and a member of flavonoids.

CAS Number20870-06-8
PubChem CID9839293
IUPAC Name2-(3,4-dihydroxyphenyl)-7-hydroxy-3-methoxychromen-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(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12O6/c1-21-16-14(20)10-4-3-9(17)7-13(10)22-15(16)8-2-5-11(18)12(19)6-8/h2-7,17-19H,1H3
InChIKey
VBXMLZNGZPQAEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fisetin 3-methyl ether
CAS: 20870-06-8
CID: 9839293
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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