chempirical

3-Ethoxy-4-methoxybenzaldehyde

C10H12O3CAS 1131-52-8180.20 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
1131-52-8
SMILES
CCOC1=C(C=CC(=C1)C=O)OC
InChIKey
VAMZHXWLGRQSJS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3

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Work with 3-Ethoxy-4-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

3,4-Diethoxybenzaldehyde2029-94-981 % similar Veratraldehyde120-14-972 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-065 % similar Ethylvanillin121-32-463 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-862 % similar Piperonal120-57-057 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-157 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-657 % 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 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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