4-[6-(4-hydroxyphenyl)pyridin-2-yl]phenol

• ChemBase ID: 253256
• Molecular Formular: C17H13NO2
• Molecular Mass: 263.29062
• Monoisotopic Mass: 263.09462866
• SMILES: n1c(c2ccc(cc2)O)cccc1c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)c1cccc(n1)c1ccc(cc1)O
• InChI: InChI=1S/C17H13NO2/c19-14-8-4-12(5-9-14)16-2-1-3-17(18-16)13-6-10-15(20)11-7-13/h1-11,19-20H
• InChIKey: OFPOICCBUABQMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(4-hydroxyphenyl)pyridin-2-yl]phenol
• IUPAC Traditional name: 4-[6-(4-hydroxyphenyl)pyridin-2-yl]phenol
• Synonyms: 4-[6-(4-hydroxyphenyl)pyridin-2-yl]phenol

Database IDs

• MDL Number: MFCD00626028
• PubChem SID: 164309166
• PubChem CID: 5399660

CALCULATED PROPERTIES

• Acid pKa: 9.271923
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.2016597
• LogD (pH = 7.4): 4.2086477
• Log P: 4.214594
• Molar Refractivity: 77.3913 cm^3
• Polarizability: 32.66452 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225°C
• Hydrophobicity(logP): 3.889

Product Information

• Purity: 95%