chempirical

2-Hydroxybutyrophenone

C10H12O2CAS 2887-61-8164.20 g/mol

Open in Covalent MOL file
OHO
KetonePhenol

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Density
1.0683 g/mL (at 24 °C)
Melting point
10 °C
Boiling point
124–126 °C (at 14 Torr)
logP
2.38Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
2887-61-8
SMILES
CCCC(=O)c1ccccc1O
InChIKey
GUDQIKIAWOAOFP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-2-5-9(11)8-6-3-4-7-10(8)12/h3-4,6-7,12H,2,5H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Butanone, 1-(2-hydroxyphenyl)-
  • Butyrophenone, 2′-hydroxy-
  • 1-(2-Hydroxyphenyl)-1-butanone
  • 2-Butyrylphenol
  • o-Hydroxybutyrophenone
  • 2′-Hydroxybutyrophenone
  • Propyl 2-hydroxyphenyl ketone
  • Fenjuntong

Work with 2-Hydroxybutyrophenone

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′-Hydroxydihydrochalcone3516-95-865 % similar 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-359 % similar 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-956 % similar Propyl salicylate607-90-955 % similar Butyrophenone495-40-955 % similar Butyl salicylate2052-14-453 % similar Amyl salicylate2050-08-051 % similar 2'-Hydroxyacetophenone104809-67-850 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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