{2-methoxy-5-[2-(morpholin-4-ylmethyl)phenyl]phenyl}methanol

• ChemBase ID: 402341
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: c1(c2c(CN3CCOCC3)cccc2)cc(c(cc1)OC)CO
• Canonical SMILES: COc1ccc(cc1CO)c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C19H23NO3/c1-22-19-7-6-15(12-17(19)14-21)18-5-3-2-4-16(18)13-20-8-10-23-11-9-20/h2-7,12,21H,8-11,13-14H2,1H3
• InChIKey: IJXXPPASEYOZLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-methoxy-5-[2-(morpholin-4-ylmethyl)phenyl]phenyl}methanol
• IUPAC Traditional name: {2-methoxy-5-[2-(morpholin-4-ylmethyl)phenyl]phenyl}methanol
• Synonyms: [4-methoxy-2'-(4-morpholinylmethyl)-3-biphenylyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.646535
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5333287
• LogD (pH = 7.4): 2.1224434
• Log P: 2.4183464
• Molar Refractivity: 92.0905 cm^3
• Polarizability: 36.968163 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.36
• LOG S: -2.49
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 5