chempirical

4-Propylbenzaldehyde

C10H12OCAS 28785-06-0148.20 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
19 °C
Boiling point
95 °C (at 6 Torr)
logP
2.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
28785-06-0
SMILES
CCCc1ccc(C=O)cc1
InChIKey
MAUCRURSQMOFGV-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 4-propyl-
  • Benzaldehyde, p-propyl-
  • p-Propylbenzaldehyde
  • 4-(n-Propyl)benzaldehyde
  • [4-Propylphenyl]methanone

Work with 4-Propylbenzaldehyde

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-Butylbenzaldehyde1200-14-277 % similar 4-Pentylbenzaldehyde6853-57-274 % similar 4-Ethylbenzaldehyde4748-78-165 % similar 4-Propoxybenzaldehyde5736-85-655 % similar 1,4-Benzenedicarboxaldehyde623-27-855 % similar 4-Isobutylbenzaldehyde40150-98-953 % similar 4-Butoxybenzaldehyde5736-88-952 % similar 4-(Pentyloxy)benzaldehyde5736-91-450 % 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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