chempirical

trans-3,5-Dimethoxystilbene

C16H16O2CAS 21956-56-9240.30 g/mol

Open in Covalent MOL file
OO
AlkeneEther

Properties

Molecular formula
C16H16O2
Molar mass
240.30 g/mol
Exact mass
240.1150 Da
Melting point
54–55 °C
Boiling point
180 °C (at 1 Torr)
logP
3.87Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Corrosive (GHS05)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
21956-56-9
SMILES
COc1cc(/C=C/c2ccccc2)cc(OC)c1
InChIKey
BIYGTLDPTJMNET-CMDGGOBGSA-N
InChI
InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1,3-dimethoxy-5-[(1E)-2-phenylethenyl]-
  • Stilbene, 3,5-dimethoxy-, (E)-
  • Benzene, 1,3-dimethoxy-5-(2-phenylethenyl)-, (E)-
  • 1,3-Dimethoxy-5-[(1E)-2-phenylethenyl]benzene
  • trans-Pinosylvin dimethyl ether
  • Pinosylvin, dimethyl ether
  • (E)-1-(3,5-Dimethoxyphenyl)-2-phenylethene
  • (E)-3,5-Dimethoxystilbene
  • 3,5-Dimethoxy-trans-stilbene
  • (E)-1,3-Dimethoxy-5-styrylbenzene
  • 3,5-Dimethoxystilbene

Work with trans-3,5-Dimethoxystilbene

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

Resveratrol trimethyl ether22255-22-774 % similar 4-Methoxystilbene1142-15-070 % similar Pterostilbene537-42-865 % similar Desmethoxyyangonin15345-89-857 % similar Pinostilbene42438-89-156 % similar 3′-Hydroxypterostilbene475231-21-156 % similar Anisole100-66-350 % similar (E)-Stilbene103-30-050 % similar

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

Same formula

Phenylethyl phenylacetate102-20-5 4,4'-Dimethylbenzoin1218-89-9 4-(Benzyloxy)-3,5-dimethylbenzaldehyde144896-51-5 Photoanethole15638-14-9 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-3 (±)-Benzoin ethyl ether574-09-4 4-(4-N-Propylphenyl)benzoic acid88038-94-2

Elsewhere

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