4-[(Z)-2-chloro-1,2-diphenylethenyl]phenol

• ChemBase ID: 120438
• Molecular Formular: C20H15ClO
• Molecular Mass: 306.7855
• Monoisotopic Mass: 306.08114278
• SMILES: C(=C(\c1ccccc1)/Cl)(/c1ccc(cc1)O)\c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)/C(=C(/c1ccccc1)\Cl)/c1ccccc1
• InChI: InChI=1S/C20H15ClO/c21-20(17-9-5-2-6-10-17)19(15-7-3-1-4-8-15)16-11-13-18(22)14-12-16/h1-14,22H/b20-19-
• InChIKey: UUZKUFVAKHXHHC-VXPUYCOJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(Z)-2-chloro-1,2-diphenylethenyl]phenol
• IUPAC Traditional name: 4-[(Z)-2-chloro-1,2-diphenylethenyl]phenol
• Synonyms: (Z)-4-(2-chloro-1,2-diphenylvinyl)phenol

Database IDs

• PubChem SID: 162214791
• PubChem CID: 1896719

CALCULATED PROPERTIES

• Acid pKa: 9.2467575
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.596706
• LogD (pH = 7.4): 5.5906835
• Log P: 5.596783
• Molar Refractivity: 101.7626 cm^3
• Polarizability: 35.56008 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false