chempirical

4-Methoxy-2,5-dimethylbenzaldehyde

C10H12O2CAS 6745-75-1164.20 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
34 °C
Boiling point
147–149 °C (at 12 Torr)
logP
2.12Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6745-75-1
SMILES
COc1cc(C)c(C=O)cc1C
InChIKey
KYHULTSMPDXSLR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-6H,1-3H3

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Names and synonyms

5 names
  • Benzaldehyde, 4-methoxy-2,5-dimethyl-
  • p-Anisaldehyde, 2,5-dimethyl-
  • 4-Methoxyisoxylaldehyde
  • 2,5-Dimethylanisaldehyde
  • 2,5-Dimethyl-4-methoxybenzaldehyde

Work with 4-Methoxy-2,5-dimethylbenzaldehyde

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

2,4,5-Trimethylbenzaldehyde5779-72-663 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-658 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-458 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-057 % similar 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-356 % similar 4-Methoxy-2,3,6-trimethylbenzaldehyde54344-92-256 % similar 2,5-Dimethoxybenzaldehyde93-02-752 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-350 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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