4-[(Z)-2-(quinolin-4-yl)ethenyl]phenol

• ChemBase ID: 312112
• Molecular Formular: C17H13NO
• Molecular Mass: 247.29122
• Monoisotopic Mass: 247.09971404
• SMILES: C(=C\c1ccc(cc1)O)\c1c2c(ncc1)cccc2
• Canonical SMILES: Oc1ccc(cc1)/C=C\c1ccnc2c1cccc2
• InChI: InChI=1S/C17H13NO/c19-15-9-6-13(7-10-15)5-8-14-11-12-18-17-4-2-1-3-16(14)17/h1-12,19H/b8-5-
• InChIKey: AMPIAJAEPGYBAA-YVMONPNESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(Z)-2-(quinolin-4-yl)ethenyl]phenol
• IUPAC Traditional name: 4-[(Z)-2-(quinolin-4-yl)ethenyl]phenol
• Synonyms: 4-[2-(4-quinolinyl)vinyl]phenol

Database IDs

• CAS Number: 789-76-4
• MDL Number: MFCD07359593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0969677
• LogD (pH = 7.4): 4.162757
• Log P: 4.1671762
• Molar Refractivity: 77.415 cm^3
• Polarizability: 30.860575 Å^3
• Polar Surface Area: 33.12 Å^2