4-(pyridin-3-yloxy)phenol

• ChemBase ID: 246318
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: n1cc(Oc2ccc(cc2)O)ccc1
• Canonical SMILES: Oc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C11H9NO2/c13-9-3-5-10(6-4-9)14-11-2-1-7-12-8-11/h1-8,13H
• InChIKey: AWPCZCUJZRRDNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-3-yloxy)phenol
• IUPAC Traditional name: 4-(pyridin-3-yloxy)phenol
• Synonyms: 4-(pyridin-3-yloxy)phenol

Database IDs

• MDL Number: MFCD23144280
• PubChem SID: 164302228
• PubChem CID: 12940630

CALCULATED PROPERTIES

• Acid pKa: 9.679216
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9049066
• LogD (pH = 7.4): 1.9493927
• Log P: 1.9522953
• Molar Refractivity: 52.1228 cm^3
• Polarizability: 20.358496 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.076

Product Information

• Purity: 95%