2-[(E)-2-(2-bromophenyl)ethenyl]quinolin-8-ol

• ChemBase ID: 311694
• Molecular Formular: C17H12BrNO
• Molecular Mass: 326.18728
• Monoisotopic Mass: 325.01022601
• SMILES: n1c2c(O)cccc2ccc1/C=C/c1c(Br)cccc1
• Canonical SMILES: Brc1ccccc1/C=C/c1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C17H12BrNO/c18-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)19-14/h1-11,20H/b10-8+
• InChIKey: XFDOYOJBVKGWCY-CSKARUKUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-(2-bromophenyl)ethenyl]quinolin-8-ol
• IUPAC Traditional name: 2-[(E)-2-(2-bromophenyl)ethenyl]quinolin-8-ol
• Synonyms: 2-[(E)-2-(2-bromophenyl)vinyl]quinolin-8-ol

Database IDs

• CAS Number: 430460-55-2
• MDL Number: MFCD02376212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.144639
• LogD (pH = 7.4): 5.1638947
• Log P: 5.16959
• Molar Refractivity: 84.5907 cm^3
• Polarizability: 33.37898 Å^3
• Polar Surface Area: 33.12 Å^2