1,6-Diphenyl-1,6-hexanedione

C₁₈H₁₈O₂CAS 3375-38-0266.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₈O₂
Molar mass: 266.34 g/mol
Exact mass: 266.1307 Da
Melting point: 107 °C
logP: 4.31Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Identifiers

CAS number

3375-38-0

SMILES

O=C(CCCCC(=O)c1ccccc1)c1ccccc1

InChIKey

VRBLNWVVFVBNRK-UHFFFAOYSA-N

InChI

InChI=1S/C18H18O2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

Weigh it out

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

Names and synonyms

6 names

1,6-Hexanedione, 1,6-diphenyl-
Butane, 1,4-dibenzoyl-
1,4-Dibenzoylbutane
NSC 105666
NSC 1159
NSC 22675

Reactions

1,4-DIBENZOYLBUTANE (1,6-Hexanedione, 1,6-diphenyl-)product

Work with 1,6-Diphenyl-1,6-hexanedione

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

1,4-Diphenyl-1,4-butanedione495-71-681 % similar Hexanophenone942-92-777 % similar Heptanophenone1671-75-674 % similar Octanophenone1674-37-974 % similar Dodecanophenone1674-38-074 % similar 5-Benzoylvaleric acid4144-62-174 % similar Nonanophenone6008-36-274 % similar Decanophenone6048-82-474 % similar

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

Same formula

Honokiol35354-74-6 Magnolol528-43-8 Dienestrol84-17-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook