1-[(morpholin-4-yl)(phenyl)methyl]naphthalen-2-ol

• ChemBase ID: 816128
• Molecular Formular: C21H21NO2
• Molecular Mass: 319.39694
• Monoisotopic Mass: 319.15722892
• SMILES: c1cc2c(cc1)ccc(c2C(c1ccccc1)N1CCOCC1)O
• Canonical SMILES: Oc1ccc2c(c1C(c1ccccc1)N1CCOCC1)cccc2
• InChI: InChI=1S/C21H21NO2/c23-19-11-10-16-6-4-5-9-18(16)20(19)21(17-7-2-1-3-8-17)22-12-14-24-15-13-22/h1-11,21,23H,12-15H2
• InChIKey: WESLOKYESXZJSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(morpholin-4-yl)(phenyl)methyl]naphthalen-2-ol
• IUPAC Traditional name: 1-[morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
• Synonyms: 1-(MORPHOLINO(PHENYL)METHYL)NAPHTHALEN-2-OL

Database IDs

• CAS Number: 24685-08-3

CALCULATED PROPERTIES

• Acid pKa: 7.727349
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6893791
• LogD (pH = 7.4): 3.375996
• Log P: 3.6423244
• Molar Refractivity: 96.3891 cm^3
• Polarizability: 38.80507 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%