1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol

• ChemBase ID: 798150
• Molecular Formular: C21H16O2
• Molecular Mass: 300.35054
• Monoisotopic Mass: 300.11502975
• SMILES: c1cc2c(cc1)ccc(c2c1c2ccccc2ccc1OC)O
• Canonical SMILES: COc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2
• InChI: InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
• InChIKey: SYSSVMYYSHYMAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
• IUPAC Traditional name: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
• Synonyms: (s)-2'-methoxy-(1,1')binaphthalenyl-2-ol; (r)-2'-methoxy-(1,1')binaphthalenyl-2-ol

Database IDs

• CAS Number: 35193-70-5; 35193-69-2

CALCULATED PROPERTIES

• Molar Refractivity: 92.5387 cm^3
• Polarizability: 39.74586 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false
• Acid pKa: 9.262259
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.1381135
• LogD (pH = 7.4): 5.1323037
• Log P: 5.138188

PROPERTIES

Product Information

• Purity: 97%