4-Methoxy-2,3,6-trimethylbenzaldehyde

C₁₁H₁₄O₂CAS 54344-92-2178.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄O₂
Molar mass: 178.23 g/mol
Exact mass: 178.0994 Da
Melting point: 50 °C
logP: 2.43Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

54344-92-2

SMILES

COc1cc(C)c(C=O)c(C)c1C

InChIKey

BTOFIDLWQJCUJG-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Benzaldehyde, 4-methoxy-2,3,6-trimethyl-
p-Anisaldehyde, 2,3,6-trimethyl-
2,3,6-Trimethyl-4-methoxy-benzaldehyde

Work with 4-Methoxy-2,3,6-trimethylbenzaldehyde

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

2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-365 % similar 4-Methoxy-2,5-dimethylbenzaldehyde6745-75-156 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-350 % similar 2,4,6-Trimethoxybenzaldehyde830-79-550 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-649 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-449 % similar 2,6-Dimethoxybenzaldehyde3392-97-047 % similar 1-Methoxy-2,3,5-trimethylbenzene20469-61-846 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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