2′,4′,6′-Trihydroxyacetophenone

C8H8O4CAS 480-66-0168.15 g/mol

Open in Covalent MOL file
OHOOHHO
KetonePhenol

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
Melting point
218 °C
logP
1.01Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
480-66-0
SMILES
CC(=O)c1c(O)cc(O)cc1O
InChIKey
XLEYFDVVXLMULC-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3

Weigh it out

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Names and synonyms

15 names · show all
  • 2',4',6'-Trihydroxyacetophenone
  • 2,4,6-Trihydroxyacetophenone
  • Ethanone, 1-(2,4,6-trihydroxyphenyl)-
  • Phloroacetophenone
  • Acetophenone, 2′,4′,6′-trihydroxy-
  • 1-(2,4,6-Trihydroxyphenyl)ethanone
  • Phloracetophenone
  • Acetophloroglucine
  • Acetylphloroglucinol
  • Phloracetophene
  • 2-Acetyl-1,3,5-trihydroxybenzene
  • NSC 54927
  • 1-(2,4,6-Trihydroxyphenyl)ethan-1-one
  • 2-Acetyl-1,3,5-benzenetriol
  • 2-Acetylphloroglucinol

Reactions

Work with 2′,4′,6′-Trihydroxyacetophenone

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

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',4',6'-Trihydroxyacetophenone monohydrate249278-28-2Hydrate

Similar compounds

3,5-Dihydroxy-4-acetyltoluene1634-34-068 % similar 2,4-Diacetylphloroglucinol2161-86-664 % similar 2',6'-Dihydroxyacetophenone699-83-261 % similar 2′,4′-Dihydroxyacetophenone89-84-958 % similar 3,5-Dihydroxyacetophenone51863-60-657 % similar Phloroglucinol carboxylic acid83-30-755 % similar Flopropione2295-58-153 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 5-Acetoxymethyl-2-furaldehyde10551-58-3 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0

Elsewhere

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