6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]hexan-1-ol

• ChemBase ID: 843394
• Molecular Formular: C21H29NO3
• Molecular Mass: 343.45986
• Monoisotopic Mass: 343.21474379
• SMILES: c1(C2CN(CCO2)CCCCCCO)cc2c(cc(cc2)OC)cc1
• Canonical SMILES: OCCCCCCN1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C21H29NO3/c1-24-20-9-8-17-14-19(7-6-18(17)15-20)21-16-22(11-13-25-21)10-4-2-3-5-12-23/h6-9,14-15,21,23H,2-5,10-13,16H2,1H3
• InChIKey: BWSGUMRVGRVVNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]hexan-1-ol
• IUPAC Traditional name: 6-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]hexan-1-ol
• Synonyms: 6-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]hexan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.843943
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1753973
• LogD (pH = 7.4): 2.8828895
• Log P: 3.3640723
• Molar Refractivity: 101.2631 cm^3
• Polarizability: 40.89996 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.45
• LOG S: -3.64
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 8