chempirical

1-(4-Hydroxyphenyl)-1-hexanone

C12H16O2CAS 2589-72-2192.26 g/mol

Open in Covalent MOL file
OOH
KetonePhenol

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
Melting point
63–64 °C
Boiling point
207–208 °C (at 10 Torr)
logP
3.16Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
2589-72-2
SMILES
CCCCCC(=O)c1ccc(O)cc1
InChIKey
YDGNMJZDWLQUTE-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Hexanone, 1-(4-hydroxyphenyl)-
  • Hexanophenone, 4′-hydroxy-
  • Caprophenone, p-hydroxy-
  • 4-Hexanoylphenol
  • 4′-Hydroxyhexanophenone
  • 4-Caproylphenol
  • NSC 402440
  • 4-Hydroxyphenyl pentyl ketone

Work with 1-(4-Hydroxyphenyl)-1-hexanone

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-heptanone14392-72-497 % similar 1-(4-Hydroxyphenyl)-1-pentanone2589-71-190 % similar 4′-Hydroxybutyrophenone1009-11-677 % similar Hexanophenone942-92-767 % similar Heptanophenone1671-75-665 % similar Octanophenone1674-37-965 % similar Dodecanophenone1674-38-065 % similar Nonanophenone6008-36-265 % similar

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

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3

Elsewhere

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