Apocynin
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 115 °C
- Boiling point
- 297 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
498-02-2SMILES
COc1cc(C(C)=O)ccc1OInChIKey
DFYRUELUNQRZTB-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
20 names · show all
- Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-
- Acetophenone, 4′-hydroxy-3′-methoxy-
- 1-(4-Hydroxy-3-methoxyphenyl)ethanone
- Acetoguaiacone
- Acetovanillone
- Apocynine
- 4-Acetyl-2-methoxyphenol
- 3′-Methoxy-4′-hydroxyacetophenone
- 4′-Hydroxy-3′-methoxyacetophenone
- Acetoguaiacon
- 4-Hydroxy-3-methoxyphenyl methyl ketone
- 2-Methoxy-4-acetylphenol
- 4-Acetylguaiacol
- Acetoguaicone
- NSC 209524
- NSC 2146
- 3-Methoxy-4-hydroxyphenylethanone
- Acetoguaiacol
- 1-(4-Hydroxy-3-methoxyphenyl)ethan-1-one
- 4-Acetyl-1-hydroxy-2-methoxybenzene
Work with Apocynin
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-976 % similar
3,4-Dimethoxyacetophenone1131-62-070 % similar
Methyl vanillate3943-74-665 % similar
3′,4′-Dihydroxyacetophenone1197-09-764 % similar
Acetosyringone2478-38-863 % similar
1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-062 % similar
Propiovanillone1835-14-962 % similar
Methyl 5-acetylsalicylate16475-90-459 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds