chempirical

4-Ethylbenzaldehyde

C9H10OCAS 4748-78-1134.18 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H10O
Molar mass
134.18 g/mol
Exact mass
134.0732 Da
Boiling point
221 °C
logP
2.06Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
4748-78-1
SMILES
CCc1ccc(C=O)cc1
InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3

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

Names and synonyms

3 names
  • Benzaldehyde, 4-ethyl-
  • Benzaldehyde, p-ethyl-
  • p-Ethylbenzaldehyde

Work with 4-Ethylbenzaldehyde

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-Propylbenzaldehyde28785-06-065 % similar 4-Butylbenzaldehyde1200-14-261 % similar 4-Pentylbenzaldehyde6853-57-259 % similar 1,4-Diethylbenzene105-05-557 % similar 1,4-Benzenedicarboxaldehyde623-27-857 % similar 4-Isobutylbenzaldehyde40150-98-955 % similar 4-Ethoxybenzaldehyde10031-82-050 % similar 4-Methylbenzaldehyde104-87-050 % similar

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

Same formula

Phenylacetone103-79-7 Hydrocinnamaldehyde104-53-0 Cinnamyl alcohol104-54-1 (4-Vinylphenyl)methanol1074-61-9 2,6-Dimethylbenzaldehyde1123-56-4 P-Methylacetophenone122-00-9 5-Indanol1470-94-6 2,4-Dimethylbenzaldehyde15764-16-6

Elsewhere

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