6-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalen-2-ol

• ChemBase ID: 554773
• Molecular Formular: C19H17NO
• Molecular Mass: 275.34438
• Monoisotopic Mass: 275.13101417
• SMILES: c1(c2cc3c(cc(cc3)O)cc2)c2c(CNCC2)ccc1
• Canonical SMILES: Oc1ccc2c(c1)ccc(c2)c1cccc2c1CCNC2
• InChI: InChI=1S/C19H17NO/c21-17-7-6-13-10-15(5-4-14(13)11-17)18-3-1-2-16-12-20-9-8-19(16)18/h1-7,10-11,20-21H,8-9,12H2
• InChIKey: VQIHRXLWFCZWGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalen-2-ol
• IUPAC Traditional name: 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalen-2-ol
• Synonyms: 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-naphthol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.94489
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7441426
• LogD (pH = 7.4): 1.8979794
• Log P: 3.3929954
• Molar Refractivity: 86.1829 cm^3
• Polarizability: 35.853767 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.66
• LOG S: -2.75
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1