chempirical

Coniferyl aldehyde

C10H10O3CAS 458-36-6178.19 g/mol

Open in Covalent MOL file
OOHO
AldehydeAlkeneEtherPhenol

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Density
1.1562 g/mL (at 101.5 °C)
Melting point
84 °C
Boiling point
169 °C (at 4 Torr)
logP
1.61Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
458-36-6
SMILES
COc1cc(C=CC=O)ccc1O
InChIKey
DKZBBWMURDFHNE-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3

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Names and synonyms

14 names · show all
  • 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-
  • Cinnamaldehyde, 4-hydroxy-3-methoxy-
  • 3-(4-Hydroxy-3-methoxyphenyl)-2-propenal
  • Coniferaldehyde
  • Ferulaldehyde
  • p-Coniferaldehyde
  • 4-Hydroxy-3-methoxycinnamaldehyde
  • 3-Methoxy-4-hydroxycinnamaldehyde
  • 3-(4-Hydroxy-3-methoxyphenyl)acrolein
  • Ferulyl aldehyde
  • 2-Methoxy-4-(3-oxo-1-propenyl)phenol
  • 4-Hydroxy-3-methoxyzimtaldehyde
  • 3-(4-Hydroxy-3-methoxyphenyl)propenal
  • Ferulic aldehyde

Work with Coniferyl aldehyde

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

Vanillin121-33-567 % similar Isoeugenol97-54-167 % similar Coniferyl alcohol458-35-564 % similar Isorhapontigenin32507-66-762 % similar Dehydrozingerone1080-12-260 % similar Ferulic acid1135-24-660 % similar Ferulic acid537-98-460 % similar Methyl ferulate2309-07-158 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1

Elsewhere

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