[4-(4-aminophenoxy)phenyl]methanol

• ChemBase ID: 272248
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: O(c1ccc(N)cc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)Oc1ccc(cc1)N
• InChI: InChI=1S/C13H13NO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,15H,9,14H2
• InChIKey: QSCGURKEQTXOMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-aminophenoxy)phenyl]methanol
• IUPAC Traditional name: [4-(4-aminophenoxy)phenyl]methanol
• Synonyms: [4-(4-aminophenoxy)phenyl]methanol

Database IDs

• MDL Number: MFCD14599905
• PubChem SID: 164328158
• PubChem CID: 50989673

CALCULATED PROPERTIES

• Acid pKa: 14.996768
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8516225
• LogD (pH = 7.4): 1.8769249
• Log P: 1.8772572
• Molar Refractivity: 63.8151 cm^3
• Polarizability: 24.252563 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 1.975

Product Information

• Purity: 95%