chempirical

Dehydrozingerone

C11H12O3CAS 1080-12-2192.21 g/mol

Open in Covalent MOL file
OOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
Melting point
129 °C
logP
2.00Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
1080-12-2
SMILES
COc1cc(C=CC(C)=O)ccc1O
InChIKey
AFWKBSMFXWNGRE-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-
  • 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
  • 3-Methoxy-4-hydroxybenzalacetone
  • Feruloylmethane
  • [0]-Paradol, dehydro-
  • Dehydro[0]-paradol
  • 4-Hydroxy-3-methoxystyryl methyl ketone
  • 4-Hydroxy-3-methoxybenzylideneacetone
  • Vanillalacetone
  • NSC 26613
  • NSC 4019
  • NSC 44708
  • NSC 45411
  • NSC 5316
  • Dehydrogingerone

Work with Dehydrozingerone

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

Ferulic acid1135-24-671 % similar Ferulic acid537-98-471 % similar Methyl ferulate2309-07-169 % similar Curcumin458-37-769 % similar Sodium ferulate24276-84-464 % similar Ethyl ferulate4046-02-063 % similar Desmethoxycurcumin22608-11-362 % similar Isoeugenol97-54-162 % similar

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

Same formula

Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook