{4-[(6-methoxynaphthalen-2-yl)methyl]morpholin-3-yl}methanol

• ChemBase ID: 730643
• Molecular Formular: C17H21NO3
• Molecular Mass: 287.35354
• Monoisotopic Mass: 287.15214354
• SMILES: N1(C(COCC1)CO)Cc1cc2c(cc(cc2)OC)cc1
• Canonical SMILES: OCC1COCCN1Cc1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C17H21NO3/c1-20-17-5-4-14-8-13(2-3-15(14)9-17)10-18-6-7-21-12-16(18)11-19/h2-5,8-9,16,19H,6-7,10-12H2,1H3
• InChIKey: YUBVBXROMBHDQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(6-methoxynaphthalen-2-yl)methyl]morpholin-3-yl}methanol
• IUPAC Traditional name: {4-[(6-methoxynaphthalen-2-yl)methyl]morpholin-3-yl}methanol
• Synonyms: {4-[(6-methoxy-2-naphthyl)methyl]morpholin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.038294
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4092004
• LogD (pH = 7.4): 1.758191
• Log P: 1.8976127
• Molar Refractivity: 82.5511 cm^3
• Polarizability: 33.519276 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.43
• LOG S: -2.36
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 4