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Eupatorin 5-methyl ether

CAT: 0926-FE23208-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FE23208-02Size:250 mg
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CAS Number
21764-09-0
Synonyms
2- (3-Hydroxy-4-methoxyphenyl) -5,6,7-trimethoxy-4H-1-benzopyran-4-one;3'-Hydroxy-4',5,6,7-tetramethoxyflavone;3'-Hydroxy-5,6,7,4'-tet ramethoxyflavone
MDL Number
MFCD00016928
Smiles
COC1=C (C=C (C=C1) C2=CC (=O) C3=C (C (=C (C=C3O2) OC) OC) OC) O
Molecular Formula
C19H18O7
Molecular Weight
358.34 g/mol
Controlled
No

Chemical Information

3'-Hydroxy-5,6,7,4'-tetramethoxyflavone
CAS Number21764-09-0
PubChem CID7020615
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxychromen-4-one
Molecular FormulaC19H18O7
Molecular Weight358.3
XLogP2.7
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity534
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
InChI
InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
InChIKey
LYLDPYNWDVVPIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxy-5,6,7,4'-tetramethoxyflavone
CAS: 21764-09-0
CID: 7020615
Formula: C19H18O7
MW: 358.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.3
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass358.10525291
Monoisotopic Mass358.10525291
Topological Polar Surface Area83.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity534
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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