4-(pyridin-4-yloxy)phenol

• ChemBase ID: 235547
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: n1ccc(Oc2ccc(cc2)O)cc1
• Canonical SMILES: Oc1ccc(cc1)Oc1ccncc1
• InChI: InChI=1S/C11H9NO2/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H
• InChIKey: JPVVRFKXDFIJLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yloxy)phenol
• IUPAC Traditional name: 4-(pyridin-4-yloxy)phenol
• Synonyms: 4-(pyridin-4-yloxy)phenol

Database IDs

• MDL Number: MFCD12763652
• PubChem SID: 164291457
• PubChem CID: 18794474

CALCULATED PROPERTIES

• Acid pKa: 9.692766
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4793528
• LogD (pH = 7.4): 1.9364187
• Log P: 1.9522953
• Molar Refractivity: 52.1228 cm^3
• Polarizability: 20.355724 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 2.076

Product Information

• Purity: 95%