2-[2-(2,2-diphenylethyl)morpholine-4-carbonyl]phenol

• ChemBase ID: 402627
• Molecular Formular: C25H25NO3
• Molecular Mass: 387.4709
• Monoisotopic Mass: 387.18344367
• SMILES: C(=O)(N1CC(CC(c2ccccc2)c2ccccc2)OCC1)c1c(O)cccc1
• Canonical SMILES: Oc1ccccc1C(=O)N1CCOC(C1)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H25NO3/c27-24-14-8-7-13-22(24)25(28)26-15-16-29-21(18-26)17-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21,23,27H,15-18H2
• InChIKey: ZCOYSJDKTICFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2,2-diphenylethyl)morpholine-4-carbonyl]phenol
• IUPAC Traditional name: 2-[2-(2,2-diphenylethyl)morpholine-4-carbonyl]phenol
• Synonyms: 2-{[2-(2,2-diphenylethyl)-4-morpholinyl]carbonyl}phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.17256
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.33655
• LogD (pH = 7.4): 5.270242
• Log P: 5.337466
• Molar Refractivity: 114.2676 cm^3
• Polarizability: 43.897324 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.95
• LOG S: -4.82
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 5