chempirical

2′-Hydroxyacetophenone

C8H8O2CAS 118-93-4136.15 g/mol

Open in Covalent MOL file
OHO
KetonePhenol

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Density
1.1326 g/mL (at 20 °C)
Melting point
5 °C
Boiling point
218 °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 251 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, 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
118-93-4
SMILES
CC(=O)c1ccccc1O
InChIKey
JECYUBVRTQDVAT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3

Weigh it out

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

Names and synonyms

21 names · show all
  • 2'-Hydroxyacetophenone
  • Ethanone, 1-(2-hydroxyphenyl)-
  • Acetophenone, 2′-hydroxy-
  • Acetophenone, o-hydroxy-
  • 1-(2-Hydroxyphenyl)ethanone
  • o-Hydroxyacetophenone
  • o-Acetylphenol
  • 2-Acetylphenol
  • o-Hydroxyphenyl methyl ketone
  • 2-Hydroxyphenyl methyl ketone
  • 2-Hydroxyacetophenone
  • Methyl 2-hydroxyphenyl ketone
  • 2-Hydroxyphenylethanone
  • NSC 16933
  • NSC 44452
  • NSC 83568
  • NSC 9263
  • o-Hydroxyhypnone
  • 1-(6-Hydroxyphenyl)ethanone
  • 1-(2-Hydroxyphenyl)ethan-1-one
  • 1-Acetyl-2-hydroxybenzene

Work with 2′-Hydroxyacetophenone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2'-Hydroxyacetophenone104809-67-8

Similar compounds

2',3'-Dihydroxyacetophenone28631-86-969 % similar 1,2-Diacetylbenzene704-00-767 % similar 2′-Amino-3′-hydroxyacetophenone4502-10-765 % similar 2',6'-Dihydroxyacetophenone699-83-261 % similar 2,2′-Dihydroxybenzophenone835-11-059 % similar 2,5-Dihydroxyacetophenone490-78-858 % similar 2′,4′-Dihydroxyacetophenone89-84-958 % similar 4,6-Diacetylresorcinol2161-85-557 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 o-Toluic acid118-90-1 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5 2-Methoxybenzaldehyde135-02-4

Elsewhere

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