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Methylisoeugenol

CAT: 0572-TRC-M361390-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M361390-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93-16-3
Synonyms
4-Propenylveratrole; NSC 46111; 1,2-Dimethoxy-4-(1-propen-1-yl)benzene; 1-Veratryl-1-propene; 3,4-Dimethoxy-beta-methylstyrene; 4-Propenyl-1,2-dimethoxybenzene
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1ccc(\C=C\C)cc1OC
Molecular Formula
C11H14O2
Molecular Weight
178.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methylisoeugenol

Isomethyleugenol is a phenylpropanoid, a dimethoxybenzene and an olefinic compound.

CAS Number93-16-3
PubChem CID637776
IUPAC Name1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
C/C=C/C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
InChIKey
NNWHUJCUHAELCL-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Methylisoeugenol
CAS: 93-16-3
CID: 637776
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AB2203Methylisoeugenol
TN5166-01Trans-Methylisoeugenol
TB01653cis-Methylisoeugenol
15913-01Methylisoeugenol (mixture of cis and trans) (1,2-Dimethoxy-4-propenylbenzene) pure, 98%

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