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1-Acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene

HCID 69463159
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CC(C)=COC(C)=O)cc1OC
InChIKey
AMMSPBQAQKIQPO-UHFFFAOYSA-N
Molecular formula
C14H18O4
Average molar mass
250.29 g/mol

Names & identifiers

Preferred name
1-Acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene
IUPAC
[3-(3,4-dimethoxyphenyl)-2-methylprop-1-enyl] acetate

Names & synonyms

SCHEMBL5495115AMMSPBQAQKIQPO-UHFFFAOYSA-N1-acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene

Database identifiers

PubChem CID
69463159

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
298

Related reactions

4 records
New reaction record
HRID 347396 reaction equation
HRID 347396As productuspto-grants-2007_02
HRID 347397 reaction equation
HRID 347397As productuspto-grants-2007_02
HRID 812343 reaction equation
HRID 812343As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2147065 reaction equation
HRID 2147065As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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