chempirical

4,6-Dimethoxysalicylaldehyde

C9H10O4CAS 708-76-9182.17 g/mol

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AldehydeEtherPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
70 °C
logP
1.22Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
708-76-9
SMILES
COc1cc(O)c(C=O)c(OC)c1
InChIKey
FQRQWPNYJOFDLO-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3

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

Names and synonyms

6 names
  • Benzaldehyde, 2-hydroxy-4,6-dimethoxy-
  • Salicylaldehyde, 4,6-dimethoxy-
  • 2-Hydroxy-4,6-dimethoxybenzaldehyde
  • 2,4-Dimethoxy-6-hydroxybenzaldehyde
  • 4,6-Dimethoxy-2-hydroxybenzaldehyde
  • 2-Formyl-3,5-dimethoxyphenol

Work with 4,6-Dimethoxysalicylaldehyde

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

2,4,6-Trimethoxybenzaldehyde830-79-573 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-360 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-760 % similar 2,4-Dimethoxybenzaldehyde613-45-657 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-954 % similar Vanillin121-33-550 % similar Isovanillin621-59-050 % similar Brevifolin90-24-450 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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