4-(2-methoxy-4-methylbenzoyl)-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase ID: 660604
• Molecular Formular: C24H25NO4
• Molecular Mass: 391.4596
• Monoisotopic Mass: 391.17835829
• SMILES: C(=O)(c1c(cc(cc1)C)OC)N1CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1cc(C)ccc1C(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C24H25NO4/c1-16-4-9-21(22(12-16)28-3)24(26)25-10-11-29-23(15-25)19-6-5-18-14-20(27-2)8-7-17(18)13-19/h4-9,12-14,23H,10-11,15H2,1-3H3
• InChIKey: JIMBMUYVJRHVRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxy-4-methylbenzoyl)-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC Traditional name: 4-(2-methoxy-4-methylbenzoyl)-2-(6-methoxynaphthalen-2-yl)morpholine
• Synonyms: 4-(2-methoxy-4-methylbenzoyl)-2-(6-methoxy-2-naphthyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0245337
• LogD (pH = 7.4): 4.0245337
• Log P: 4.0245337
• Molar Refractivity: 112.7049 cm^3
• Polarizability: 44.387836 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.83
• LOG S: -5.33
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4