chempirical

4-Methoxy-2,3-dimethylbenzaldehyde

C10H12O2CAS 38998-17-3164.20 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
64 °C
Boiling point
149–151 °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
38998-17-3
SMILES
COc1ccc(C=O)c(C)c1C
InChIKey
MAFDJCNDRCNZFM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3

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Names and synonyms

4 names
  • Benzaldehyde, 4-methoxy-2,3-dimethyl-
  • p-Anisaldehyde, 2,3-dimethyl-
  • 2,3-Dimethyl-4-methoxybenzaldehyde
  • 2,3-Dimethyl-p-anisaldehyde

Work with 4-Methoxy-2,3-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

2,3,4-Trimethoxybenzaldehyde2103-57-361 % similar 4-Methoxy-1-naphthaldehyde15971-29-656 % similar 2,5-Dimethoxybenzaldehyde93-02-755 % similar 2,4-Dimethoxybenzaldehyde613-45-653 % similar 2-Hydroxy-3,4-dimethoxybenzaldehyde19283-70-653 % similar 2-Chloro-3,4-dimethoxybenzaldehyde5417-17-453 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-751 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-150 % 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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