chempirical

4-Butoxybenzaldehyde

C11H14O2CAS 5736-88-9178.23 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Melting point
184 °C
Boiling point
285 °C
logP
2.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
5736-88-9
SMILES
CCCCOc1ccc(C=O)cc1
InChIKey
XHWMNHADTZZHGI-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 4-butoxy-
  • Benzaldehyde, p-butoxy-
  • p-Butoxybenzaldehyde
  • NSC 508762
  • 4-n-Butoxybenzaldehyde

Work with 4-Butoxybenzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Pentyloxy)benzaldehyde5736-91-490 % similar 4-(Octyloxy)benzaldehyde24083-13-487 % similar 4-(Heptyloxy)benzaldehyde27893-41-087 % similar 4-(Hexyloxy)benzaldehyde5736-94-787 % similar 4-Propoxybenzaldehyde5736-85-680 % similar 4-Ethoxybenzaldehyde10031-82-068 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-559 % similar 4-Butylbenzaldehyde1200-14-258 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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