chempirical

4-Hydroxy-2,6-dimethoxybenzaldehyde

C9H10O4CAS 22080-96-2182.17 g/mol

Open in Covalent MOL file
OOOOH
AldehydeEtherPhenol

Properties

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

Identifiers

CAS number
22080-96-2
SMILES
COC1=CC(=CC(=C1C=O)OC)O
InChIKey
HZWPJAZIRZFCGX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3

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Names and synonyms

1 names
  • 2,6-Dimethoxy-4-hydroxybenzaldehyde

Work with 4-Hydroxy-2,6-dimethoxybenzaldehyde

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-Trimethoxybenzaldehyde830-79-566 % similar 4-Hydroxy-2-methoxybenzaldehyde18278-34-761 % similar 4,6-Dimethoxysalicylaldehyde708-76-959 % similar 2,6-Dimethoxybenzaldehyde3392-97-057 % similar 2,6-Dimethoxyhydroquinone15233-65-555 % similar 3,4,5-Trimethoxyphenol642-71-755 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-753 % similar 2,4,6-Trihydroxybenzaldehyde487-70-750 % 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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