1-(4-Hydroxyphenyl)-1-pentanone

C11H14O2CAS 2589-71-1178.23 g/mol

Open in Covalent MOL file
OOH
KetonePhenol

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
Melting point
62–63 °C
Boiling point
210 °C (at 15 Torr)
logP
2.77Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2589-71-1
SMILES
CCCCC(=O)c1ccc(O)cc1
InChIKey
ZKCJJGOOPOIZTE-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1-Pentanone, 1-(4-hydroxyphenyl)-
  • Valerophenone, 4′-hydroxy-
  • 4-Valerylphenol
  • p-Hydroxyvalerophenone
  • NSC 49186
  • NSC 49321
  • 4′-Hydroxyvalerophenone

Work with 1-(4-Hydroxyphenyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Hydroxyhexanophenone2589-72-290 % similar 4′-Hydroxyheptanophenone14392-72-487 % similar 4′-Hydroxybutyrophenone1009-11-680 % similar 4′-Bromovalerophenone7295-44-570 % similar 1-(4-Methylphenyl)-1-pentanone1671-77-867 % similar Valerophenone1009-14-966 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-765 % similar 1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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