4-[(E)-2-(pyridin-2-yl)ethenyl]phenol

• ChemBase ID: 312245
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: C(=C\c1ccc(cc1)O)/c1ncccc1
• Canonical SMILES: Oc1ccc(cc1)/C=C/c1ccccn1
• InChI: InChI=1S/C13H11NO/c15-13-8-5-11(6-9-13)4-7-12-3-1-2-10-14-12/h1-10,15H/b7-4+
• InChIKey: ZOSLIBAXJLWTFX-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(pyridin-2-yl)ethenyl]phenol
• IUPAC Traditional name: 4-[(E)-2-(pyridin-2-yl)ethenyl]phenol
• Synonyms: 4-[2-(2-pyridinyl)vinyl]phenol

Database IDs

• CAS Number: 77377-07-2
• MDL Number: MFCD00219320

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9674287
• LogD (pH = 7.4): 3.0210636
• Log P: 3.0255103
• Molar Refractivity: 60.8897 cm^3
• Polarizability: 23.24829 Å^3
• Polar Surface Area: 33.12 Å^2