chempirical

Pinostilbene

C15H14O3CAS 42438-89-1242.27 g/mol

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OOHHO
AlkeneEtherPhenol

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Melting point
117–118 °C
logP
3.28Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
42438-89-1
SMILES
COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
InChIKey
KUWZXOMQXYWKBS-NSCUHMNNSA-N
InChI
InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+

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Names and synonyms

6 names
  • Phenol, 3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-
  • Phenol, 3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxy-, (E)-
  • 3-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-5-methoxyphenol
  • trans-Pinostilbene
  • Pinostilbene, trans-
  • 3,4′-Dihydroxy-5-methoxy-trans-stilbene

Work with Pinostilbene

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

Pterostilbene537-42-887 % similar Resveratrol501-36-063 % similar cis-Resveratrol61434-67-163 % similar Resveratrol trimethyl ether22255-22-763 % similar 3′-Hydroxypterostilbene475231-21-157 % similar 5-Methoxyresorcinol2174-64-357 % similar 3,5-Dimethoxyphenol500-99-257 % similar trans-3,5-Dimethoxystilbene21956-56-956 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 Fenoprofen31879-05-7 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5 β-Lapachone4707-32-8 Equol531-95-3

Elsewhere

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