4-[4-(1-hydroxyethyl)phenyl]benzamide

• ChemBase ID: 576771
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(c1ccc(c2ccc(cc2)C(O)C)cc1)N
• Canonical SMILES: CC(c1ccc(cc1)c1ccc(cc1)C(=O)N)O
• InChI: InChI=1S/C15H15NO2/c1-10(17)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(16)18/h2-10,17H,1H3,(H2,16,18)
• InChIKey: NWTAIEMQPCNGRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(1-hydroxyethyl)phenyl]benzamide
• IUPAC Traditional name: 4-[4-(1-hydroxyethyl)phenyl]benzamide
• Synonyms: 4'-(1-hydroxyethyl)biphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 71.5073 cm^3
• Polarizability: 28.430563 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.29746
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.120336
• LogD (pH = 7.4): 2.1203368
• Log P: 2.1203368

供应商提供(Chembridge)

• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 2
• Log P: 1.55
• LOG S: -2.28