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6,7-Dimethoxy-2- (2-phenylethyl) chromone

CAT: 0013-GTR19183965-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183965-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6,7-Dimethoxy-2-phenethylchromone is a chromone compound identified in agarwood. It serves as a key metabolic marker for distinguishing wild from cultivated sources in botanical research. Its applications extend to in vitro phytochemical and metabolomic studies of aromatic plants.
CAS Number
84294-87-1
Product Name Alternative
6,7 Dimethoxy 2 (2 phenylethyl) chromone, 6,7Dimethoxy2 (2phenylethyl) chromone, 6,7-Dimethoxy-2- (2-phenylethyl) chromone, 6,7-Dimethoxy-2-phenethylchromone
Purity
99.16% (May vary between batches)
Smiles
O=C1C=C (OC2=CC (OC) =C (OC) C=C12) CCC=3C=CC=CC3
Molecular Formula
C19H18O4
Molecular Weight
310.34
Storage Conditions
Keep away from direct sunlight, keep away from moisture, store at low temperature | store at -20°C | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-
CAS Number84294-87-1
PubChem CID5316872
IUPAC Name6,7-dimethoxy-2-(2-phenylethyl)chromen-4-one
Molecular FormulaC19H18O4
Molecular Weight310.3
XLogP3.7
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity439
SMILES
COC1=C(C=C2C(=C1)C(=O)C=C(O2)CCC3=CC=CC=C3)OC
InChI
InChI=1S/C19H18O4/c1-21-18-11-15-16(20)10-14(23-17(15)12-19(18)22-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKey
MVQOWXHYPYRBOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-1-Benzopyran-4-one, 6,7-dimethoxy-2-(2-phenylethyl)-
CAS: 84294-87-1
CID: 5316872
Formula: C19H18O4
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass310.12050905
Monoisotopic Mass310.12050905
Topological Polar Surface Area44.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity439
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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