Compound Selection

Formula: C14H12O3

MW: 228.25

CAS: 501-36-0

TNP NUMBER: TNP00294

MDL NUMBER: MFCD00133799

IUPAC: 5-[(1E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol

Smiles: C(=C\c1ccc(cc1)O)/c1cc(O)cc(c1)O

SOURCE: Phenolic antioxidant found in grapes and peanuts

ACCEPTORS: 3

DONORS: 3

ROTATION BONDS: 3

N+O: 3

Chiral Centers: 0

LogP: 3.57

LogS: -3.69

LIPINSKI: 4

Monograph Number: 0008243

Title: Resveratrol

CAS Registry Number: 501-36-0

CAS Name: 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol

Additional Names: trans-resveratrol; (E)-5-(p-hydroxystyryl)resorcinol; 3,4

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MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
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