chempirical

Benzarone

C17H14O3CAS 1477-19-6266.30 g/mol

Open in Covalent MOL file
OOHO
KetonePhenol

Properties

Molecular formula
C17H14O3
Molar mass
266.30 g/mol
Exact mass
266.0943 Da
Melting point
124.3 °C
logP
3.93Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
1477-19-6
SMILES
CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
InChIKey
RFRXIWQYSOIBDI-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-
  • Ketone, 2-ethyl-3-benzofuranyl p-hydroxyphenyl
  • (2-Ethyl-3-benzofuranyl)(4-hydroxyphenyl)methanone
  • 2-Ethyl-3-benzofuranyl p-hydroxyphenyl ketone
  • 2-Ethyl-3-(p-hydroxybenzoyl)benzofuran
  • 2-Ethyl-3-(4-hydroxybenzoyl)benzofuran
  • 2-Ethyl-4′-hydroxy-3-benzoylbenzofuran
  • Fragivix
  • L 2197
  • Fragivil
  • Benzaron
  • Fagivil
  • L 2179-Labaz
  • NSC 82134
  • (2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone
  • (2-Ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

Work with Benzarone

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

2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-074 % similar Benzbromarone3562-84-366 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-450 % similar 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-148 % similar 4-Hydroxybenzophenone1137-42-445 % similar 4,4'-Dihydroxybenzophenone611-99-443 % similar Amiodarone1951-25-341 % similar 2,4′-Dihydroxybenzophenone606-12-240 % similar

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

Same formula

1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-7 5-Methyl-7-methoxyisoflavone82517-12-2

Elsewhere

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