1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone
Basic information
- CAS
3934-89-2- Standard SMILES
COc1cc(C(C)=O)cc(O)c1O- InChIKey
APWNPKIBUXZTOW-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 1-(3,4-Dihydroxy-5-methoxyphenyl)ethanone
- IUPAC
- 1-(3,4-dihydroxy-5-methoxyphenyl)ethanone
- English name
- 1-(3,4-dihydroxy-5-methoxy-phenyl)ethanone
- Molecular formula
- C9H10O4
- Molecular weight
- 182.1733
Names & synonyms
3934-89-21-(3,4-dihydroxy-5-methoxyphenyl)ethanoneACETOPHENONE, 3,4-DIHYDROXY-5-METHOXY-DTXSID90192564RefChem:1054088DTXCID301150551-(3,4-Dihydroxy-5-methoxyphenyl)ethan-1-oneBRN 22675103,4-Dihydroxy-5-methoxyacetophenoneSCHEMBL2338863EN300-18299871-(3,4-dihydroxy-5-methoxy-phenyl)ethanone
Database identifiers
- CAS
3934-89-2- PubChem CID
- 19830
- DTXSID
DTXSID90192564- Nikkaji
- J90.734K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Chemistry & industry
Preparation methods
PreparationCyclic voltammetry showed the electrochemical oxidation of 3,5-dimethoxy-4-hydroxyacetophenone gave 3,4-di-hydroxy-5-methoxyacetophenone as the major product by a one electron oxidation process (20% isolated yield), but 30–40% estimated by thin layer chromatography.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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