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6-Methoxy-2- (2-phenylethyl) chromone

CAT: 0931-T83263-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83263-01Size:5 mg
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CAS Number
84294-89-3
Bioactivity
Compound 9, 6-Methoxy-2- (2-phenylethyl) chromone, is a derivative of 2- (2-phenylethyl) chromone (1⁄4 2- (2-phenylethyl) -4H-1-benzopyran-4-one) [1].
Smiles
O=C1C=C(OC2=CC=C(OC)C=C12)CCC=3C=CC=CC3
Molecular Formula
C18H16O3
Molecular Weight
280.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-

4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)- has been reported in Aquilaria sinensis with data available.

CAS Number84294-89-3
PubChem CID5319482
IUPAC Name6-methoxy-2-(2-phenylethyl)chromen-4-one
Molecular FormulaC18H16O3
Molecular Weight280.3
XLogP4.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity395
SMILES
COC1=CC2=C(C=C1)OC(=CC2=O)CCC3=CC=CC=C3
InChI
InChI=1S/C18H16O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
InChIKey
JOYYVGVYUHRBAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
CAS: 84294-89-3
CID: 5319482
Formula: C18H16O3
MW: 280.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass280.109944368
Monoisotopic Mass280.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity395
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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