chempirical

3-Ethoxysalicylaldehyde

C9H10O3CAS 492-88-6166.18 g/mol

Open in Covalent MOL file
OOHO
AldehydeEtherPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
64–65 °C
Boiling point
263–264 °C (at 740 Torr)
logP
1.60Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
492-88-6
SMILES
CCOc1cccc(C=O)c1O
InChIKey
OFQBYHLLIJGMNP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3

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Names and synonyms

10 names
  • Benzaldehyde, 3-ethoxy-2-hydroxy-
  • Salicylaldehyde, 3-ethoxy-
  • 3-Ethoxy-2-hydroxybenzaldehyde
  • Novovanillin
  • o-Ethylvanillin
  • 2-Hydroxy-3-ethoxybenzaldehyde
  • 2-Ethoxy-6-formylphenol
  • 5-Ethoxy-6-hydroxybenzaldehyde
  • NSC 133446
  • 6-Formylguethol

Work with 3-Ethoxysalicylaldehyde

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-Ethoxybenzaldehyde613-69-468 % similar Ortho-vanillin148-53-864 % similar 2-Ethoxy-3-methoxybenzaldehyde66799-97-157 % similar 3-Methylsalicylaldehyde824-42-051 % similar 2,3-Dihydroxybenzaldehyde24677-78-950 % similar 5-Bromo-2-ethoxybenzaldehyde79636-94-548 % similar 2-(2-Hydroxyethoxy)benzaldehyde22042-72-448 % similar Benzodioxole-4-carboxaldehyde7797-83-346 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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