chempirical

2,6-Dimethoxybenzoquinone

C8H8O4CAS 530-55-2168.15 g/mol

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AlkeneEtherKetone

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
256 °C
logP
0.20Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
530-55-2
SMILES
COC1=CC(=O)C=C(OC)C1=O
InChIKey
OLBNOBQOQZRLMP-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-
  • p-Benzoquinone, 2,6-dimethoxy-
  • Quinone, 2,6-dimethoxy-
  • 2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione
  • 2,6-Dimethoxy-p-benzoquinone
  • 2,6-Dimethoxyquinone
  • 2,6-Dimethoxy-1,4-benzoquinone
  • 2,6-Dimethoxy-p-quinone
  • 3,5-Dimethoxy-1,4-benzoquinone
  • 3,5-Dimethoxybenzoquinone
  • NSC 24500
  • NSC 56336

Work with 2,6-Dimethoxybenzoquinone

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-Dimethyl-1,4-benzoquinone527-61-742 % similar 2,6-Diisopropyl-1,4-benzoquinone1988-11-038 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-238 % similar 2,6-Dichloro-1,4-benzoquinone697-91-637 % similar 2,3-Dimethoxy-5-methyl-1,4-benzoquinone605-94-736 % similar Phorone504-20-136 % similar Methyl dimethoxyacetate89-91-836 % similar Dimethyl maleate624-48-635 % similar

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

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-(Acetoxymethyl)-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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