chempirical

2,4,6-Trimethoxyphenol

C9H12O4CAS 20491-92-3184.19 g/mol

Open in Covalent MOL file
OOOHO
EtherPhenol

Properties

Molecular formula
C9H12O4
Molar mass
184.19 g/mol
Exact mass
184.0736 Da
Melting point
60–64 °C
logP
1.42Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
20491-92-3
SMILES
COc1cc(OC)c(O)c(OC)c1
InChIKey
HSJYYLNJWGKZMD-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H3

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Names and synonyms

3 names
  • Phenol, 2,4,6-trimethoxy-
  • 2,4,6-Trimethoxythiophenol
  • 2,4,6-Trimethoxylphenol

Work with 2,4,6-Trimethoxyphenol

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

2,6-Dimethoxyhydroquinone15233-65-567 % similar 4-Methylsyringol6638-05-764 % similar Syringol91-10-156 % similar Syringaldazine14414-32-555 % similar 2-Bromo-1,3,5-trimethoxybenzene1131-40-454 % similar 1,3,5-Trimethoxybenzene621-23-852 % similar 5-Methoxyresorcinol2174-64-352 % similar 3,5-Dimethoxyphenol500-99-252 % similar

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

Same formula

Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-1 2,3-Dimethoxy-5-methyl-1,4-benzenediol3066-90-8 Syringyl alcohol530-56-3 3,4,5-Trimethoxyphenol642-71-7

Elsewhere

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