4-amino-2-phenylphenol

• ChemBase ID: 237423
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: c1(c(ccc(c1)N)O)c1ccccc1
• Canonical SMILES: Nc1ccc(c(c1)c1ccccc1)O
• InChI: InChI=1S/C12H11NO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H,13H2
• InChIKey: OUIITAOCYATDMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-phenylphenol
• IUPAC Traditional name: 4-amino-2-phenylphenol
• Synonyms: 4-amino-2-phenylphenol

Database IDs

• MDL Number: MFCD08361726
• PubChem SID: 164293333
• PubChem CID: 29595

CALCULATED PROPERTIES

• Acid pKa: 10.0918255
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2427747
• LogD (pH = 7.4): 2.4827223
• Log P: 2.48798
• Molar Refractivity: 57.8755 cm^3
• Polarizability: 23.106882 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.836

Product Information

• Purity: 95%