chempirical

Propiovanillone

C10H12O3CAS 1835-14-9180.20 g/mol

Open in Covalent MOL file
OOHO
EtherKetonePhenol

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
61–62 °C
Boiling point
180–185 °C (at 15 Torr)
logP
1.99Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
1835-14-9
SMILES
CCC(=O)c1ccc(O)c(OC)c1
InChIKey
FBGXENQFSMMBNY-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all
  • 1-(4-Hydroxy-3-methoxyphenyl)propanone
  • 1-Hydroxy-2-methoxy-4-propionylbenzene
  • 1-(4′-Hydroxy-3′-methoxyphenyl)propan-1-one
  • NSC 16691
  • 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-
  • Propiophenone, 4′-hydroxy-3′-methoxy-
  • 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone
  • Propioguaiacone
  • Guaiacyl-1-propanone
  • Ethyl guaiacyl ketone
  • Propioguaiacol
  • 4′-Hydroxy-3′-methoxypropiophenone
  • α-Guaiacyl ethyl ketone
  • α-Guaiacylpropanone
  • 1-(3-Methoxy-4-hydroxyphenyl)-1-propanone
  • 1-Propiovanillone
  • 1-(4-Hydroxy-3-methoxyphenyl)propan-1-one

Work with Propiovanillone

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

Propioveratrone1835-04-772 % similar 3′,4′-Dihydroxypropiophenone7451-98-167 % similar Ethyl vanillate617-05-062 % similar Apocynin498-02-262 % similar Methyl vanillate3943-74-660 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-155 % similar 3,4-Methylenedioxypropiophenone28281-49-455 % similar 3′-Methoxypropiophenone37951-49-854 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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