2-methoxy-5-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]phenol

• ChemBase ID: 484811
• Molecular Formular: C23H23NO5
• Molecular Mass: 393.43242
• Monoisotopic Mass: 393.15762284
• SMILES: N1(C(=O)c2cc(c(cc2)OC)O)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1ccc(c(c1)O)OC
• InChI: InChI=1S/C23H23NO5/c1-27-19-7-5-15-11-17(4-3-16(15)12-19)22-14-24(9-10-29-22)23(26)18-6-8-21(28-2)20(25)13-18/h3-8,11-13,22,25H,9-10,14H2,1-2H3
• InChIKey: XGNLXUHWYHFZDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]phenol
• IUPAC Traditional name: 2-methoxy-5-[2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]phenol
• Synonyms: 2-methoxy-5-{[2-(6-methoxy-2-naphthyl)morpholin-4-yl]carbonyl}phenol

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 68.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 9.266859
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.207473
• LogD (pH = 7.4): 3.2017288
• Log P: 3.207547
• Molar Refractivity: 109.6446 cm^3
• Polarizability: 43.215553 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 68.23 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 1
• Log P: 3.06
• LOG S: -4.68