4-{[2-(4-methoxyphenoxy)phenyl]methyl}morpholine

• ChemBase ID: 374701
• Molecular Formular: C18H21NO3
• Molecular Mass: 299.36424
• Monoisotopic Mass: 299.15214354
• SMILES: c1(c(Oc2ccc(cc2)OC)cccc1)CN1CCOCC1
• Canonical SMILES: COc1ccc(cc1)Oc1ccccc1CN1CCOCC1
• InChI: InChI=1S/C18H21NO3/c1-20-16-6-8-17(9-7-16)22-18-5-3-2-4-15(18)14-19-10-12-21-13-11-19/h2-9H,10-14H2,1H3
• InChIKey: HEZSQSWAJCYNCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(4-methoxyphenoxy)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[2-(4-methoxyphenoxy)phenyl]methyl}morpholine
• Synonyms: 4-[2-(4-methoxyphenoxy)benzyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1169019
• LogD (pH = 7.4): 3.0002236
• Log P: 3.038758
• Molar Refractivity: 86.3792 cm^3
• Polarizability: 33.869083 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.58
• LOG S: -2.58
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5