4-(4-aminophenyl)phenol

• ChemBase ID: 58411
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: c1cc(ccc1c1ccc(cc1)O)N
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)O
• InChI: InChI=1S/C12H11NO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H,13H2
• InChIKey: LQZZZAFQKXTFKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-aminophenyl)phenol
• IUPAC Traditional name: 4-amino-4'-hydroxybiphenyl
• Synonyms: 4'-Aminobiphenyl-4-ol

Database IDs

• CAS Number: 1204-79-1
• MDL Number: MFCD00463439
• PubChem SID: 162063174
• PubChem CID: 14565

CALCULATED PROPERTIES

• Acid pKa: 9.996819
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4673102
• LogD (pH = 7.4): 2.4866228
• Log P: 2.48798
• Molar Refractivity: 57.8755 cm^3
• Polarizability: 23.097986 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false