chempirical

1-(4-Bromophenyl)-1-pentanone

C11H13BrOCAS 7295-44-5241.13 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

Molecular formula
C11H13BrO
Molar mass
241.13 g/mol
Exact mass
240.0150 Da
Melting point
37–38 °C
Boiling point
168–169 °C
logP
3.82Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
7295-44-5
SMILES
CCCCC(=O)c1ccc(Br)cc1
InChIKey
STYJKBMRWQQJIS-UHFFFAOYSA-N
InChI
InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3

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

Names and synonyms

9 names
  • 1-Pentanone, 1-(4-bromophenyl)-
  • Valerophenone, 4′-bromo-
  • p-Bromovalerophenone
  • p-Bromophenyl butyl ketone
  • 4′-Bromovalerophenone
  • p-Pentanoylbromobenzene
  • 1-Bromo-4-pentanoylbenzene
  • 4′-Bromopentanophenone
  • NSC 76560

Work with 1-(4-Bromophenyl)-1-pentanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Bromophenyl)-1-butanone4981-64-080 % similar 1-(4-Hydroxyphenyl)-1-pentanone2589-71-170 % similar 1-(4-Methylphenyl)-1-pentanone1671-77-867 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-765 % similar 1-(4-Hydroxyphenyl)-1-hexanone2589-72-263 % similar 1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-463 % similar 4′-Bromopropiophenone10342-83-363 % similar 1-(4-Hydroxyphenyl)-1-heptanone14392-72-461 % similar

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

Same formula

2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook