3,3-Dimethyl-1,5-diphenylpentane-1,5-dione

C₁₉H₂₀O₂CAS 42052-44-8280.37 g/mol

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Properties

Molecular formula: C₁₉H₂₀O₂
Molar mass: 280.37 g/mol
Exact mass: 280.1463 Da
logP: 4.56Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

42052-44-8

SMILES

CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)C2=CC=CC=C2

InChIKey

KOPUUBMUPHKMTM-UHFFFAOYSA-N

InChI

InChI=1S/C19H20O2/c1-19(2,13-17(20)15-9-5-3-6-10-15)14-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3

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Names and synonyms

2 names

3,3-Dimethyl-1,5-diphenyl-pentane-1,5-dione
3,3-Dimethyl-1,5-diphenyl-1,5-pentanedione

Work with 3,3-Dimethyl-1,5-diphenylpentane-1,5-dione

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

Dibenzoylmethane120-46-756 % similar 1,4-Diphenyl-1,4-butanedione495-71-656 % similar Propiophenone93-55-055 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-052 % similar 2-Aminoacetophenone613-89-852 % similar Butyrophenone495-40-952 % similar 2-Methoxy-1-phenylethanone4079-52-150 % similar Neopentyl glycol dibenzoate4196-89-850 % similar

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

Elsewhere

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