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7-Hydroxy-5-methoxyflavanone

CAT: 0926-FH65556-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FH65556-01Size:100 mg
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CAS Number
36052-37-6
Synonyms
Alpinetin
MDL Number
MFCD00238532
Smiles
COC1=CC (=CC2=C1C (=O) C[C@H] (O2) C3=CC=CC=C3) O
Molecular Formula
C16H14O4
Molecular Weight
270.28 g/mol
Controlled
No

Chemical Information

(-)-Alpinetin

Alpinetin is an ether and a member of flavonoids.

CAS Number36052-37-6
PubChem CID154279
IUPAC Name(2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP2.5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity350
SMILES
COC1=CC(=CC2=C1C(=O)C[C@H](O2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3/t13-/m0/s1
InChIKey
QQQCWVDPMPFUGF-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (-)-Alpinetin
CAS: 36052-37-6
CID: 154279
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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