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4'-Methoxyflavanone

CAT: 0926-FM67336-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FM67336-01Size:5 g
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CAS Number
97005-76-0
MDL Number
MFCD00017704
Smiles
COC1=CC=C (C=C1) C2CC (=O) C3=CC=CC=C3O2
Molecular Formula
C16H14O3
Molecular Weight
254.28 g/mol
Controlled
No

Chemical Information

4'-Methoxyflavanone

4'-methoxyflavanone is the parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.

CAS Number97005-76-0
PubChem CID102928
IUPAC Name2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O3
Molecular Weight254.28
XLogP3.1
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity320
SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C16H14O3/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16/h2-9,16H,10H2,1H3
InChIKey
QIUYUYOXCGBABP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Methoxyflavanone
CAS: 97005-76-0
CID: 102928
Formula: C16H14O3
MW: 254.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.28
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass254.094294304
Monoisotopic Mass254.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N9246-014'-Methoxyflavanone
M37756-014-Methoxyflavanone
427710-013'-Hydroxy-4'-methoxyflavanone
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M292736,4'-Dihydroxy-7-methoxyflavanone
sc-2682936-Methoxyflavanone
HY-W7524337,4'-Dihydroxy-3'-methoxyflavanone
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