chempirical

3,5-Dimethoxybenzaldehyde

C9H10O3CAS 7311-34-4166.18 g/mol

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AldehydeEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
46.3 °C
Boiling point
125–130 °C (at NaN Torr)
logP
1.52Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
7311-34-4
SMILES
COc1cc(C=O)cc(OC)c1
InChIKey
VFZRZRDOXPRTSC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3

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Names and synonyms

2 names
  • Benzaldehyde, 3,5-dimethoxy-
  • NSC 62667

Work with 3,5-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

3-Bromo-5-methoxybenzaldehyde262450-65-771 % similar 4-Anisaldehyde123-11-568 % similar 3-Methoxybenzaldehyde591-31-164 % similar 3-(4-Methoxyphenoxy)benzaldehyde62373-80-259 % similar Resveratrol trimethyl ether22255-22-757 % similar 1,3,5-Trimethoxybenzene621-23-857 % similar 2,4,6-Trimethoxybenzaldehyde830-79-557 % similar 3,4,5-Trimethoxybenzaldehyde86-81-757 % 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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