chempirical

2′-Hydroxy-4′,5′-dimethylacetophenone

C10H12O2CAS 36436-65-4164.20 g/mol

Open in Covalent MOL file
OHO
KetonePhenol

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
71 °C
logP
2.21Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
36436-65-4
SMILES
CC(=O)c1cc(C)c(C)cc1O
InChIKey
YXVSURZEXVMUAM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-6-4-9(8(3)11)10(12)5-7(6)2/h4-5,12H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(2-hydroxy-4,5-dimethylphenyl)-
  • Acetophenone, 2′-hydroxy-4′,5′-dimethyl-
  • 1-(2-Hydroxy-4,5-dimethylphenyl)ethanone
  • 4′,5′-Dimethyl-2′-hydroxyacetophenone
  • 2-Acetyl-4,5-dimethylphenol
  • 4,5-Dimethyl-2-hydroxyacetophenone
  • 1-(4,5-Dimethyl-2-hydroxyphenyl)ethanone
  • 1-(2-Hydroxy-4,5-dimethylphenyl)ethan-1-one

Work with 2′-Hydroxy-4′,5′-dimethylacetophenone

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

4,6-Diacetylresorcinol2161-85-570 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-564 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-258 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-858 % similar 4′-Hydroxy-3′-methylacetophenone876-02-858 % similar 4′-Hydroxy-2′-methylacetophenone875-59-253 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-451 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-551 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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