2-Hydroxy-5-methoxy-4-methylacetophenone
Basic information
- CAS
4223-84-1- Standard SMILES
COc1cc(C(C)=O)c(O)cc1C- InChIKey
PTTRXYJJGTZMSZ-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-Hydroxy-5-methoxy-4-methylacetophenone
- IUPAC
- 1-(2-hydroxy-5-methoxy-4-methylphenyl)ethanone
- English name
- 1-(2-Hydroxy-5-methoxy-4-methyl-phenyl)-ethanone
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
4223-84-11-(2-hydroxy-5-methoxy-4-methylphenyl)ethanone2-HYDROXY-5-METHOXY-4-METHYLACETOPHENONE1-(2-HYDROXY-5-METHOXY-4-METHYL-PHENYL)-ETHANONE1-(2-hydroxy-5-methoxy-4-methylphenyl)ethan-1-oneEthanone,1-(2-hydroxy-5-methoxy-4-methylphenyl)-Ethanone, 1-(2-hydroxy-5-methoxy-4-methylphenyl)-SCHEMBL14566480DTXSID90195055AKOS006281158from E:/powder/org3_fox/gsas/P21a.cif2-Acetyl-4-methoxy-5-methylphenol
Show more names
2'-Hydroxy-5'-methoxy-4'-methylacetophenone1-Acetyl-2-hydroxy-5-Methoxy-4-Methylbenzene
Database identifiers
- CAS
4223-84-1- PubChem CID
- 20208
- DTXSID
DTXSID90195055- Nikkaji
- J140.899B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 114 °C · 114°C
- Boiling point
- 290.1 · 290.1±35.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 10.78 · 10.78±0.23(Predicted)
Chemistry & industry
Applications
UsesA volatile component of Polypodiacea plant oil. An intermediate in the synthesis of flavanoid derivatives.
Preparation methods
PreparationObtained by reaction of acetyl chloride on 2,5-dimethoxy-4-isopropyltoluene with aluminium chloride in boiling carbon disulfide (14%).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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