1-Phenyl-1,3-eicosanedione

C₂₆H₄₂O₂CAS 58446-52-9386.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₆H₄₂O₂
Molar mass: 386.62 g/mol
Exact mass: 386.3185 Da
Melting point: 68–69 °C
logP: 8.09Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 19

Identifiers

CAS number

58446-52-9

SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1

InChIKey

LRQGFQDEQPZDQC-UHFFFAOYSA-N

InChI

InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3

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Names and synonyms

12 names

1,3-Eicosanedione, 1-phenyl-
1-Phenyleicosane-1,3-dione
β-Stearoylacetophenone
Benzoylstearoylmethane
Karenz DK 1
Rhodiastab 50
Stearoylbenzoylmethane
SBM
AD 157
Rhodiastab 55P
1-Heptadecyl-3-phenylpropanedione
1-Phenylicosane-1,3-dione

Work with 1-Phenyl-1,3-eicosanedione

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

Heptanophenone1671-75-674 % similar Octanophenone1674-37-974 % similar Dodecanophenone1674-38-074 % similar Nonanophenone6008-36-274 % similar Decanophenone6048-82-474 % similar Hexanophenone942-92-771 % similar Valerophenone1009-14-963 % similar Butyrophenone495-40-957 % similar

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

Elsewhere

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