Piceol

C8H8O2CAS 99-93-4136.15 g/mol

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OOH
KetonePhenol

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Melting point
109.5 °C
Boiling point
147–148 °C
logP
1.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 279 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
99-93-4
SMILES
CC(=O)c1ccc(O)cc1
InChIKey
TXFPEBPIARQUIG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

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Names and synonyms

18 names · show all
  • Ethanone, 1-(4-hydroxyphenyl)-
  • Acetophenone, 4′-hydroxy-
  • Acetophenone, p-hydroxy-
  • 1-(4-Hydroxyphenyl)ethanone
  • 4-Acetylphenol
  • Methyl p-hydroxyphenyl ketone
  • p-Hydroxyacetophenone
  • p-Hydroxyphenyl methyl ketone
  • p-Acetylphenol
  • 4′-Hydroxyacetophenone
  • 4-Hydroxyphenyl methyl ketone
  • p-Acetophenol
  • 1-(4-Hydroxyphenyl)-1-ethanone
  • Methyl 4-hydroxyphenyl ketone
  • 4-Acetophenol
  • 4-Hydroxyphenylethanone
  • NSC 3698
  • 4'-Hydroxyacetophenone

Work with Piceol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diacetylbenzene1009-61-671 % similar 4,4'-Diacetylbiphenyl787-69-963 % similar 3,5-Dihydroxyacetophenone51863-60-662 % similar P-Bromoacetophenone99-90-162 % similar 4-Acetylbenzoic acid586-89-059 % similar P-Methylacetophenone122-00-958 % similar 4,4′-Dihydroxybenzophenone611-99-456 % similar Acetophenone98-86-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 o-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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