chempirical

Acetosyringone

C10H12O4CAS 2478-38-8196.20 g/mol

Open in Covalent MOL file
OOOHO
EtherKetonePhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
117 °C
logP
1.61Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2478-38-8
SMILES
COc1cc(C(C)=O)cc(OC)c1O
InChIKey
OJOBTAOGJIWAGB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3

Weigh it out

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Names and synonyms

14 names · show all
  • Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-
  • Acetophenone, 4′-hydroxy-3′,5′-dimethoxy-
  • 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethanone
  • 4′-Hydroxy-3′,5′-dimethoxyacetophenone
  • 2,6-Dimethoxy-4-acetylphenol
  • 4-Acetyl-2,6-dimethoxyphenol
  • Syringylethanone
  • 2,6-Dimethoxy-4-acetophenol
  • 3′,5′-Dimethoxy-4′-hydroxyacetophenone
  • Syringone
  • 4-Acetylsyringol
  • 4-Hydroxy-3,5-dimethoxyphenylethanone
  • Acetosyringenin
  • 1-(4-Hydroxy-3,5-dimethoxyphenyl)ethan-1-one

Work with Acetosyringone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3′,4′,5′-Trimethoxyacetophenone1136-86-368 % similar Syringic acid530-57-464 % similar Apocynin498-02-263 % similar Methyl syringate884-35-562 % similar 3,4-Dimethoxyacetophenone1131-62-061 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-958 % similar 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-158 % similar 3′,5′-Dimethoxyacetophenone39151-19-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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