1-[4-(1H-indol-4-yl)phenyl]-2-(morpholin-4-yl)ethan-1-ol

• ChemBase ID: 529196
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: c12c(c3ccc(C(CN4CCOCC4)O)cc3)cccc1[nH]cc2
• Canonical SMILES: OC(c1ccc(cc1)c1cccc2c1cc[nH]2)CN1CCOCC1
• InChI: InChI=1S/C20H22N2O2/c23-20(14-22-10-12-24-13-11-22)16-6-4-15(5-7-16)17-2-1-3-19-18(17)8-9-21-19/h1-9,20-21,23H,10-14H2
• InChIKey: LNMYKNUOOIVGFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(1H-indol-4-yl)phenyl]-2-(morpholin-4-yl)ethan-1-ol
• IUPAC Traditional name: 1-[4-(1H-indol-4-yl)phenyl]-2-(morpholin-4-yl)ethanol
• Synonyms: 1-[4-(1H-indol-4-yl)phenyl]-2-morpholin-4-ylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.084265
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4485848
• LogD (pH = 7.4): 2.7046256
• Log P: 2.8117945
• Molar Refractivity: 95.8604 cm^3
• Polarizability: 39.739326 Å^3
• Polar Surface Area: 48.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.05
• LOG S: -3.15
• Polar Surface Area: 48.49 Å^2
• Rotatable Bonds: 4