CAS 102-61-4|CAS 22139-77-1|5-[(E)-2-phenylethenyl]benzene-1,3-diol|Pinosylvin|<i>trans</i>-3,5-Dihydroxystilbene|pinosylvin|(<i>E</i>)-3,5-Stilbenediol|(E)-3,5-Stilbenediol|(E)-5-(2-Phenylethenyl)-...

General Information

Structure

Molecular Formula

C₁₄H₁₂O₂

Molecular Mass

212.24388

Exact Mass

212.08372962

Charge

InChI

InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+

InChIKey

YCVPRTHEGLPYPB-VOTSOKGWSA-N

Canonic Smiles

Oc1cc(/C=C/c2ccccc2)cc(c1)O

Isomeric Smiles

c1ccc(cc1)/C=C/c1cc(cc(c1)O)O

Calculated Properties

JChem

LogD (pH = 7.4)

3.68

LogD (pH = 5.5)

3.71

Log P

3.71

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.66

Polar Surface Area

40.46

Polarizability

23.51

Molar Refractivity

65.47

LOG S

-3.53

Data Source

Names and Identifiers

IUPAC name

5-[(E)-2-phenylethenyl]benzene-1,3-diol 5-(2-phenylethenyl)benzene-1,3-diol 5-[(1E)-2-phenylethenyl]benzene-1,3-diol

Synonyms

Pinosylvintrans-3,5-Dihydroxystilbene(E)-3,5-Stilbenediol(E)-3,5-Stilbenediol(E)-5-(2-Phenylethenyl)-1,3-benzenedioltrans-3,5-Dihydroxystilbene5-StyrylresorcinolPinosylvinePinosylvin3,5-Dihydroxystilbenetrans-pinosylvinpinosylvine(E)-3,5-stilbenedioltrans-3,5-dihydroxystilbene5-[(E)-2-phenylvinyl]benzene-1,3-diol(E)-5-(2-phenylethenyl)-1,3-benzenediol(E)-pinosylvinpinosylvinPinosylvin5-(2-phenylethenyl)-1,3-benzenediol5-(2-phenylvinyl)benzene-1,3-diol

IUPAC Traditional name

pinosylvin trans-3,5-dihydroxystilbene

Names and Identifiers

Registration numbers

CAS Number

CHEMBL

PubChem CID

Wikipedia Title