chempirical

3,4-Bis(benzyloxy)benzaldehyde

C21H18O3CAS 5447-02-9318.37 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C21H18O3
Molar mass
318.37 g/mol
Exact mass
318.1256 Da
Melting point
93 °C
logP
4.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
7

Identifiers

CAS number
5447-02-9
SMILES
O=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIKey
XDDLXZHBWVFPRG-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2

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Names and synonyms

7 names
  • Benzaldehyde, 3,4-bis(phenylmethoxy)-
  • Benzaldehyde, 3,4-bis(benzyloxy)-
  • 3,4-Bis(phenylmethoxy)benzaldehyde
  • 3,4-Di(benzyloxy)benzaldehyde
  • Protocatechualdehyde dibenzyl ether
  • α,α′-Diphenylveratraldehyde
  • NSC 16747

Work with 3,4-Bis(benzyloxy)benzaldehyde

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

4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-181 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-081 % similar Piperonal120-57-064 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-864 % similar 4-(Benzyloxy)benzaldehyde4397-53-963 % similar 3-Benzyloxybenzaldehyde1700-37-462 % similar 3,4-Diethoxybenzaldehyde2029-94-958 % similar 2-(Benzyloxy)benzaldehyde5896-17-358 % similar

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

Same formula

3,5-Dibenzyloxybenzaldehyde14615-72-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook