cis-Resveratrol

C₁₄H₁₂O₃CAS 61434-67-1228.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O₃
Molar mass: 228.25 g/mol
Exact mass: 228.0786 Da
Melting point: 172–174 °C
logP: 2.97Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

61434-67-1

SMILES

Oc1ccc(/C=Cc2cc(O)cc(O)c2)cc1

InChIKey

LUKBXSAWLPMMSZ-UPHRSURJSA-N

InChI

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-

Weigh it out

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

Names and synonyms

4 names

1,3-Benzenediol, 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-
1,3-Benzenediol, 5-[2-(4-hydroxyphenyl)ethenyl]-, (Z)-
5-[(1Z)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol
(Z)-Resveratrol

Work with cis-Resveratrol

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

Resveratrol501-36-0100 % similar Pinosylvin22139-77-171 % similar Pinostilbene42438-89-163 % similar Piceatannol10083-24-663 % similar trans-4-Hydroxystilbene6554-98-963 % similar 4-Methoxyresveratrol33626-08-362 % similar Oxyresveratrol29700-22-961 % similar Pterostilbene537-42-857 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 Phenyl phenylmethyl carbonate28170-07-2 2,4-Dihydroxyphenyl benzyl ketone3669-41-8

Elsewhere

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