chempirical

2-Ethoxy-3-methoxybenzaldehyde

C10H12O3CAS 66799-97-1180.20 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Boiling point
151–154 °C (at 22 Torr)
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
66799-97-1
SMILES
CCOc1c(C=O)cccc1OC
InChIKey
DMPUNCUVRGJYGL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-13-10-8(7-11)5-4-6-9(10)12-2/h4-7H,3H2,1-2H3

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Names and synonyms

2 names
  • Benzaldehyde, 2-ethoxy-3-methoxy-
  • NSC 72388

Work with 2-Ethoxy-3-methoxybenzaldehyde

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

2,3-Dimethoxybenzaldehyde86-51-171 % similar 2-Ethoxybenzaldehyde613-69-461 % similar 3-Ethoxysalicylaldehyde492-88-657 % similar Benzodioxole-4-carboxaldehyde7797-83-357 % similar 2,3,4-Trimethoxybenzaldehyde2103-57-356 % similar 2-Fluoro-3-methoxybenzaldehyde103438-88-654 % similar Ortho-vanillin148-53-854 % similar 2,6-Dimethoxybenzaldehyde3392-97-050 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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