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2',4',6'-Trimethoxy-3'-methylacetophenone

CAT: 0931-TN7595-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7595-01Size:10 mg
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CAS Number
39701-13-8
Bioactivity
2′,4′,6′-Trimethoxy-3′-methylacetophenone (compound 15), a rosin lactone, is isolated from E. portulacoides [1].
Smiles
O=C(C1=C(OC)C=C(OC)C(=C1OC)C)C
Molecular Formula
C12H16O4
Molecular Weight
224.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2',4',6'-Trimethoxy-3'-methylacetophenone

1-(2,4,6-trimethoxy-3-methylphenyl)ethanone has been reported in Euphorbia portulacoides with data available.

CAS Number39701-13-8
PubChem CID11368088
IUPAC Name1-(2,4,6-trimethoxy-3-methylphenyl)ethanone
Molecular FormulaC12H16O4
Molecular Weight224.25
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity241
SMILES
CC1=C(C(=C(C=C1OC)OC)C(=O)C)OC
InChI
InChI=1S/C12H16O4/c1-7-9(14-3)6-10(15-4)11(8(2)13)12(7)16-5/h6H,1-5H3
InChIKey
JUWLMMHIOBSJSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2',4',6'-Trimethoxy-3'-methylacetophenone
CAS: 39701-13-8
CID: 11368088
Formula: C12H16O4
MW: 224.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.25
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass224.10485899
Monoisotopic Mass224.10485899
Topological Polar Surface Area44.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
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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