4′-Hydroxybutyrophenone

C10H12O2CAS 1009-11-6164.20 g/mol

Open in Covalent MOL file
OOH
KetonePhenol

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Density
1.0435 g/mL (at 24 °C)
Melting point
91 °C
Boiling point
200 °C (at 15 Torr)
logP
2.38Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1009-11-6
SMILES
CCCC(=O)c1ccc(O)cc1
InChIKey
GFBLPULLSAPXDC-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Butanone, 1-(4-hydroxyphenyl)-
  • Butyrophenone, 4′-hydroxy-
  • 1-(4-Hydroxyphenyl)-1-butanone
  • p-Butyrylphenol
  • 4-Butyrylphenol
  • p-Hydroxybutyrophenone
  • 4-Butanoylphenol
  • NSC 17548
  • 1-(4-Hydroxyphenyl)butan-1-one
  • 1-(p-Hydroxyphenyl)-1-butanone

Work with 4′-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

1-(4-Hydroxyphenyl)-1-pentanone2589-71-180 % similar 4′-Hydroxyhexanophenone2589-72-277 % similar 4′-Hydroxyheptanophenone14392-72-475 % similar 1-(4-Bromophenyl)-1-butanone4981-64-068 % similar 4'-Hydroxypropiophenone70-70-267 % similar 1-(4-Methylphenyl)-1-butanone4160-52-565 % similar Butyrophenone495-40-963 % similar 1-(4-Aminophenyl)-1-butanone1688-71-763 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2,5-Dimethylbenzeneacetic acid13612-34-5

Elsewhere

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