chempirical

2,4,5-Trimethylbenzaldehyde

C10H12OCAS 5779-72-6148.20 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
Melting point
42.5–43.5 °C
logP
2.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
5779-72-6
SMILES
Cc1cc(C)c(C=O)cc1C
InChIKey
LROJZZICACKNJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3

Weigh it out

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Names and synonyms

3 names
  • Benzaldehyde, 2,4,5-trimethyl-
  • Durylaldehyde
  • Duraldehyde

Work with 2,4,5-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

4-Methoxy-2,5-dimethylbenzaldehyde6745-75-163 % similar 2,4-Dimethylbenzaldehyde15764-16-656 % similar 2,5-Dimethylbenzaldehyde5779-94-256 % similar 3,4-Dimethylbenzaldehyde5973-71-748 % similar 2,3-Dimethylbenzaldehyde5779-93-145 % similar 4-(Diethylamino)-2-methylbenzaldehyde92-14-844 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-342 % similar 3-Methylsalicylaldehyde824-42-042 % similar

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

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(2,5-Dimethylphenyl)ethanone2142-73-6 Benzylacetone2550-26-7

Elsewhere

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