Pterostilbene

C16H16O3CAS 537-42-8256.30 g/mol

Open in Covalent MOL file
OOHO
AlkeneEtherPhenol

Properties

Molecular formula
C16H16O3
Molar mass
256.30 g/mol
Exact mass
256.1099 Da
Melting point
88–89 °C
logP
3.58Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Corrosive (GHS05)Environmental Hazard (GHS09)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P391, P501

Identifiers

CAS number
537-42-8
SMILES
COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1
InChIKey
VLEUZFDZJKSGMX-ONEGZZNKSA-N
InChI
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+

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Names and synonyms

12 names
  • Phenol, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-
  • 4-Stilbenol, 3′,5′-dimethoxy-, (E)-
  • Phenol, 4-[2-(3,5-dimethoxyphenyl)ethenyl]-, (E)-
  • 4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol
  • 3,5-Dimethoxy-4′-hydroxy-trans-stilbene
  • trans-3,5-Dimethoxy-4′-hydroxystilbene
  • trans-Pterostilbene
  • (E)-2-(3,5-Dimethoxyphenyl)-1-(4-hydroxyphenyl)ethene
  • (E)-4-Hydroxy-3′,5′-dimethoxystilbene
  • (E)-4-(3,5-Dimethoxystyryl)phenol
  • E-Pterostilbene
  • P 1499

Work with Pterostilbene

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

Pinostilbene42438-89-187 % similar Resveratrol trimethyl ether22255-22-772 % similar 4-Methoxyresveratrol33626-08-369 % similar 3′-Hydroxypterostilbene475231-21-165 % similar trans-3,5-Dimethoxystilbene21956-56-965 % similar Resveratrol501-36-057 % similar cis-Resveratrol61434-67-157 % similar 4-Methoxyphenol150-76-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(4-methoxyphenyl)ethanone120-44-5 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-6 2,2-Dimethoxy-2-phenylacetophenone24650-42-8 Ethyl benzilate52182-15-7 Ethyl 4-(phenylmethoxy)benzoate56441-55-5 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-6 4-Benzyloxyphenylacetic acid methyl ester68641-16-7 Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-9

Elsewhere

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