chempirical

3-Methoxy-4-propoxy-benzaldehyde

C11H14O3CAS 57695-98-4194.23 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
2.30Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57695-98-4
SMILES
CCCOC1=C(C=C(C=C1)C=O)OC
InChIKey
YUWQIFGCZPFOAL-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h4-5,7-8H,3,6H2,1-2H3

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Names and synonyms

1 names
  • 3-Methoxy-4-propoxybenzaldehyde

Work with 3-Methoxy-4-propoxy-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-Ethoxy-3-methoxybenzaldehyde120-25-278 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-868 % similar Veratraldehyde120-14-968 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-863 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-162 % similar 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-258 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-758 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-858 % similar

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

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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