3-[2-(4-hydroxyphenyl)ethenyl]phenol

• ChemBase ID: 125361
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: c1cc(cc(c1)O)/C=C/c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)/C=C/c1cccc(c1)O
• InChI: InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H
• InChIKey: UFGKEFGYNRJIGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-hydroxyphenyl)ethenyl]phenol
• IUPAC Traditional name: 3-[2-(4-hydroxyphenyl)ethenyl]phenol
• Synonyms: 3,4′-Dihydroxystilbene

Database IDs

• PubChem SID: 162219711
• PubChem CID: 54350316; 10171348
• Wikipedia Title: 3,4′-Dihydroxystilbene

CALCULATED PROPERTIES

• Acid pKa: 9.155242
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7058606
• LogD (pH = 7.4): 3.698404
• Log P: 3.7059562
• Molar Refractivity: 65.4746 cm^3
• Polarizability: 24.740625 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true