chempirical

2′-Hydroxy-5′-methoxyacetophenone

C9H10O3CAS 705-15-7166.18 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
52 °C
Boiling point
78–86 °C (at 0.1 Torr)
logP
1.60Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
705-15-7
SMILES
COc1ccc(O)c(C(C)=O)c1
InChIKey
MLIBGOFSXXWRIY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 1-(2-hydroxy-5-methoxyphenyl)-
  • Acetophenone, 2′-hydroxy-5′-methoxy-
  • 1-(2-Hydroxy-5-methoxyphenyl)ethanone
  • 2-Hydroxy-5-methoxyacetophenone
  • 5-Methoxy-2-hydroxyacetophenone
  • 2-Acetyl-4-methoxyphenol
  • NSC 338218
  • 2-Hydroxy-5-methyloxyacetophenone
  • 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one

Work with 2′-Hydroxy-5′-methoxyacetophenone

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

Paeonol552-41-076 % similar 5-Methoxysalicylic acid2612-02-467 % similar 2′,5′-Dimethoxyacetophenone1201-38-366 % similar 2′,4′-Dimethoxyacetophenone829-20-961 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-258 % similar Apocynin498-02-258 % similar 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-457 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-457 % 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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