3-Phenylbutyrophenone

C₁₆H₁₆OCAS 1533-20-6224.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₆O
Molar mass: 224.30 g/mol
Exact mass: 224.1201 Da
logP: 4.06Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

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

1533-20-6

SMILES

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

InChIKey

GIVFXLVPKFXTCU-UHFFFAOYSA-N

InChI

InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3

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Names and synonyms

1 names

1,3-Diphenyl-1-butanone

Work with 3-Phenylbutyrophenone

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

3-Phenylbutyric acid4593-90-261 % similar Dibenzoylmethane120-46-750 % similar 1,4-Diphenyl-1,4-butanedione495-71-650 % similar Propiophenone93-55-050 % similar Butyrophenone495-40-947 % similar sec-Butylbenzene135-98-847 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-047 % similar 2-Aminoacetophenone613-89-847 % similar

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

Same formula

1-[1,1′-Biphenyl]-4-yl-1-butanone13211-01-3 1,2-Diphenylbutan-1-one16282-16-9 α-Cyclopropyl-α-phenylbenzenemethanol5785-66-0 2,4,6-Trimethylbenzophenone954-16-5

Elsewhere

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