chempirical

4-Butylbenzaldehyde

C11H14OCAS 1200-14-2162.23 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C11H14O
Molar mass
162.23 g/mol
Exact mass
162.1045 Da
Melting point
43 °C
Boiling point
125–130 °C (at 19 Torr)
logP
2.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
1200-14-2
SMILES
CCCCc1ccc(C=O)cc1
InChIKey
ARIREUPIXAKDAY-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzaldehyde, 4-butyl-
  • Benzaldehyde, p-butyl-
  • p-Butylbenzaldehyde
  • 4-n-Butylbenzaldehyde
  • p-n-Butylbenzaldehyde
  • NBBAL

Work with 4-Butylbenzaldehyde

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-Pentylbenzaldehyde6853-57-288 % similar 4-Propylbenzaldehyde28785-06-077 % similar 4-Ethylbenzaldehyde4748-78-161 % similar 4-Butoxybenzaldehyde5736-88-958 % similar 4-(Pentyloxy)benzaldehyde5736-91-456 % similar 4-(1-Hexyn-1-yl)benzaldehyde175203-90-454 % similar 4-(Octyloxy)benzaldehyde24083-13-454 % similar 4-(Heptyloxy)benzaldehyde27893-41-054 % similar

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

Same formula

Valerophenone1009-14-9 2′,4′,6′-Trimethylacetophenone1667-01-2 1-(2,4,5-Trimethylphenyl)ethanone2040-07-5 Allyl alcohol-styrene copolymer25119-62-4 3-Methyl-1-phenyl-2-butanone2893-05-2 1-(4-Propylphenyl)ethanone2932-65-2 4-Isobutylbenzaldehyde40150-98-9 1-(4-Methylphenyl)-1-butanone4160-52-5

Elsewhere

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