chempirical

Resveratrol trimethyl ether

C17H18O3CAS 22255-22-7270.33 g/mol

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AlkeneEther

Properties

Molecular formula
C17H18O3
Molar mass
270.33 g/mol
Exact mass
270.1256 Da
Melting point
55–57 °C
logP
3.88Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
22255-22-7
SMILES
COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
InChIKey
GDHNBPHYVRHYCC-SNAWJCMRSA-N
InChI
InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+

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Names and synonyms

14 names · show all
  • Benzene, 1,3-dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-
  • Stilbene, 3,4′,5-trimethoxy-, (E)-
  • Benzene, 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-, (E)-
  • 1,3-Dimethoxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]benzene
  • 3,4′,5-Trimethoxy-trans-stilbene
  • Tri-O-methylresveratrol
  • (E)-3,5,4′-Trimethoxystilbene
  • 3,5,4′-Trimethoxy-trans-stilbene
  • (E)-1-(4-Methoxyphenyl)-2-(3,5-dimethoxyphenyl)ethene
  • (E)-2-(3,5-Dimethoxyphenyl)-1-(4-methoxyphenyl)ethene
  • (E)-1,3-Dimethoxy-5-(4-methoxystyryl)benzene
  • (E)-3,4′,5-Trimethoxystilbene
  • trans-Trimethoxyresveratrol
  • BTM 0512

Work with Resveratrol trimethyl ether

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

trans-3,5-Dimethoxystilbene21956-56-974 % similar Pterostilbene537-42-872 % similar 4-Methoxystilbene1142-15-067 % similar 4-Methoxyresveratrol33626-08-367 % similar Anethole104-46-163 % similar Anethole4180-23-863 % similar Pinostilbene42438-89-163 % similar 3′-Hydroxypterostilbene475231-21-163 % similar

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

Same formula

2-Methoxy-5-methyl-β-phenylbenzenepropanoic acid109089-77-2

Elsewhere

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