4-{[2-(3,4,5-trimethoxyphenyl)phenyl]methyl}morpholine

• ChemBase ID: 550196
• Molecular Formular: C20H25NO4
• Molecular Mass: 343.4168
• Monoisotopic Mass: 343.17835829
• SMILES: c1(c2c(CN3CCOCC3)cccc2)cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C20H25NO4/c1-22-18-12-16(13-19(23-2)20(18)24-3)17-7-5-4-6-15(17)14-21-8-10-25-11-9-21/h4-7,12-13H,8-11,14H2,1-3H3
• InChIKey: CZLZREHWJLGIAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(3,4,5-trimethoxyphenyl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[2-(3,4,5-trimethoxyphenyl)phenyl]methyl}morpholine
• Synonyms: 4-[(3',4',5'-trimethoxybiphenyl-2-yl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1243073
• LogD (pH = 7.4): 2.6396792
• Log P: 2.8703537
• Molar Refractivity: 98.201 cm^3
• Polarizability: 39.532887 Å^3
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.78
• LOG S: -3.07
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 6