1-(4-Nonylphenyl)ethanone

C₁₇H₂₆OCAS 37593-05-8246.39 g/mol

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Properties

Molecular formula: C₁₇H₂₆O
Molar mass: 246.39 g/mol
Exact mass: 246.1984 Da
Boiling point: 165 °C (at 3 Torr)
logP: 5.18Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 9

Identifiers

CAS number

37593-05-8

SMILES

CCCCCCCCCc1ccc(C(C)=O)cc1

InChIKey

PWRSUUUQEQAMEV-UHFFFAOYSA-N

InChI

InChI=1S/C17H26O/c1-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)18/h11-14H,3-10H2,1-2H3

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

Names and synonyms

4 names

Ethanone, 1-(4-nonylphenyl)-
4′-Nonylacetophenone
p-Nonylacetophenone
1-(4-Nonylphenyl)ethan-1-one

Work with 1-(4-Nonylphenyl)ethanone

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

P-Octylacetophenone10541-56-7100 % similar 1-(4-Hexylphenyl)ethanone37592-72-6100 % similar 1-(4-Heptylphenyl)ethanone37593-03-6100 % similar 1-(4-Pentylphenyl)ethanone37593-02-596 % similar 1-(4-Butylphenyl)ethanone37920-25-586 % similar 1-(4-Propylphenyl)ethanone2932-65-273 % similar 4-Hexylbenzoic acid21643-38-963 % similar 4-Octylbenzoic acid3575-31-363 % similar

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

Same formula

1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-2 Acetylcedrene32388-55-9 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-1 4-(trans-4-Pentylcyclohexyl)phenol82575-69-7

Elsewhere

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