chempirical

1-(2-Hydroxy-6-methoxyphenyl)ethanone

C9H10O3CAS 703-23-1166.18 g/mol

Open in Covalent MOL file
OOHO
EtherKetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
60 °C
logP
1.60Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
703-23-1
SMILES
COc1cccc(O)c1C(C)=O
InChIKey
UENLHUMCIOWYQN-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(2-hydroxy-6-methoxyphenyl)-
  • Acetophenone, 2′-hydroxy-6′-methoxy-
  • 2′-Hydroxy-6′-methoxyacetophenone
  • 6′-Hydroxy-2′-methoxyacetophenone
  • 6-Methoxy-2-hydroxyacetophenone
  • 2-Hydroxy-6-methoxyacetophenone
  • 1-(2-Hydroxy-6-methoxyphenyl)ethan-1-one

Work with 1-(2-Hydroxy-6-methoxyphenyl)ethanone

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-(2,6-Dimethoxyphenyl)ethanone2040-04-274 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-667 % similar Brevifolin90-24-461 % similar Apocynin498-02-254 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-954 % similar 2,6-Dimethoxybenzoic acid1466-76-853 % similar 2′-Methoxyacetophenone579-74-853 % similar Guaiacol90-05-152 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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