4-[(5-fluoro-2-methoxyphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 330736
• Molecular Formular: C23H24FNO3
• Molecular Mass: 381.4399632
• Monoisotopic Mass: 381.17402185
• SMILES: c1(CN2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1cc(F)ccc1OC
• InChI: InChI=1S/C23H24FNO3/c1-26-21-7-5-16-11-18(4-3-17(16)13-21)23-15-25(9-10-28-23)14-19-12-20(24)6-8-22(19)27-2/h3-8,11-13,23H,9-10,14-15H2,1-2H3
• InChIKey: FKGZIVJRIBCNLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-(5-fluoro-2-methoxybenzyl)-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3591135
• LogD (pH = 7.4): 4.2570863
• Log P: 4.2972183
• Molar Refractivity: 107.551 cm^3
• Polarizability: 42.799175 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: 4.36
• LOG S: -4.7
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5