chempirical

Brevifolin

C10H12O4CAS 90-24-4196.20 g/mol

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EtherKetonePhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
82 °C
Boiling point
307 °C
logP
1.61Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
90-24-4
SMILES
COc1cc(O)c(C(C)=O)c(OC)c1
InChIKey
FBUBVLUPUDBFME-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3

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Names and synonyms

15 names · show all
  • Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-
  • Acetophenone, 2′-hydroxy-4′,6′-dimethoxy-
  • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone
  • Phloroacetophenone dimethyl ether
  • Xanthoxylin
  • 2,4-Di-O-methylphloroacetophenone
  • 2′-Hydroxy-4′,6′-dimethoxyacetophenone
  • Brevifolin (zanthoxylum)
  • Phloroacetophenone 2,4-dimethyl ether
  • 1-Acetyl-2-hydroxy-4,6-dimethoxybenzene
  • NSC 17392
  • 2-Acetyl-3,5-dimethoxyphenol
  • 2′,4′-Dimethoxy-6′-hydroxyacetophenone
  • 4′,6′-Dimethoxy-2′-hydroxyacetophenone
  • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one

Work with Brevifolin

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Hydroxy-6-methoxyphenyl)ethanone703-23-161 % similar Paeonol552-41-056 % similar 2′-Hydroxy-4,4′,6′-trimethoxychalcone3420-72-256 % similar Flavokavain B1775-97-954 % similar 2,4,6-Trimethoxybenzoic acid570-02-554 % similar Apocynin498-02-253 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-953 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-753 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

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