Resveratrol

C₁₄H₁₂O₃CAS 501-36-0228.25 g/mol

Open in Covalent MOL file

Alkene Phenol

Properties

Molecular formula: C₁₄H₁₂O₃
Molar mass: 228.25 g/mol
Exact mass: 228.0786 Da
Melting point: 254 °C
logP: 2.97Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation13.8% of notifiers
H318 Causes serious eye damage10% of notifiers
H319 Causes serious eye irritation88.8% of notifiers
H335 May cause respiratory irritation11.2% of notifiers

Aggregated from 160 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

501-36-0

SMILES

Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1

InChIKey

LUKBXSAWLPMMSZ-OWOJBTEDSA-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

23 names · show all

1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-
3,4′,5-Stilbenetriol
1,3-Benzenediol, 5-[2-(4-hydroxyphenyl)ethenyl]-, (E)-
5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol
trans-Resveratrol
(E)-5-(p-Hydroxystyryl)resorcinol
(E)-Resveratrol
CA 1201
3,4′,5-Trihydroxy-trans-stilbene
(E)-2-(3,5-Dihydroxyphenyl)-1-(4-hydroxyphenyl)ethene
(E)-3,4′,5-Trihydroxystilbene
Resvida
Vineatrol 20M
Resveratrol P 5
trans-3,5,4′-Trihydroxystilbene
SRT 501M
SRT 501
Melinjo resveratrol 20
Biofort
Polygonin
Cuspidatin
3,4′,5-Trihydroxystilbene
Regu-fade

Work with 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

cis-Resveratrol61434-67-1Stereo not defined

Similar compounds

Pinosylvin22139-77-171 % similar Pinostilbene42438-89-163 % similar Piceatannol10083-24-663 % similar trans-4-Hydroxystilbene6554-98-963 % similar 4-Methoxyresveratrol33626-08-362 % similar trans-2,3',4,5'-Tetrahydroxystilbene29700-22-961 % similar Pterostilbene537-42-857 % similar Isorhapontigenin32507-66-750 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia