chempirical

2,4,5-Trimethoxybenzaldehyde

C10H12O4CAS 4460-86-0196.20 g/mol

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AldehydeEther

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Density
1.093 g/mL (at 16.5 °C)
Melting point
114 °C
Boiling point
143 °C (at 6 Torr)
logP
1.52Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
4460-86-0
SMILES
COc1cc(OC)c(OC)cc1C=O
InChIKey
IAJBQAYHSQIQRE-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3

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Names and synonyms

8 names
  • Benzaldehyde, 2,4,5-trimethoxy-
  • Asaronaldehyde
  • Asaraldehyde
  • 3,4,6-Trimethoxybenzaldehyde
  • Gazarin
  • Asarylaldehyde
  • NSC 89299
  • 2,4,5-Trimethoxylbenzaldehyde

Work with 2,4,5-Trimethoxybenzaldehyde

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

6-Bromoveratraldehyde5392-10-966 % similar 2,5-Dimethoxybenzaldehyde93-02-762 % similar 2,4-Dimethoxybenzaldehyde613-45-660 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-758 % similar Asarone2883-98-957 % similar β-Asarone5273-86-957 % similar 4-Methoxy-2,5-dimethylbenzaldehyde6745-75-157 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-156 % 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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