chempirical

4′-Hydroxy-3′-methylacetophenone

C9H10O2CAS 876-02-8150.18 g/mol

Open in Covalent MOL file
OOH
KetonePhenol

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Melting point
103 °C
logP
1.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
876-02-8
SMILES
CC(=O)c1ccc(O)c(C)c1
InChIKey
LXBHHIZIQVZGFN-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3

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

Names and synonyms

9 names
  • Ethanone, 1-(4-hydroxy-3-methylphenyl)-
  • Acetophenone, 4′-hydroxy-3′-methyl-
  • 1-(4-Hydroxy-3-methylphenyl)ethanone
  • 3′-Methyl-4′-hydroxyacetophenone
  • 4-Acetyl-2-methylphenol
  • 2-Methyl-4-acetylphenol
  • 1-(3-Methyl-4-hydroxyphenyl)ethanone
  • NSC 63365
  • 4-Hydroxyl-3-methyl acetophenone

Work with 4′-Hydroxy-3′-methylacetophenone

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

3′,4′-Dihydroxyacetophenone1197-09-770 % similar 3,4-Dimethylacetophenone3637-01-267 % similar 4-Hydroxy-3-methylbenzoic acid499-76-364 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-762 % similar 5-Acetylsalicylic acid13110-96-860 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-859 % similar Apocynin498-02-258 % similar 2′-Hydroxy-4′,5′-dimethylacetophenone36436-65-458 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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