(6-methoxynaphthalen-2-yl)methanol

• ChemBase ID: 254496
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: c12c(cc(cc2)OC)ccc(c1)CO
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)CO
• InChI: InChI=1S/C12H12O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-7,13H,8H2,1H3
• InChIKey: YKZCYRHZTSJCAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxynaphthalen-2-yl)methanol
• IUPAC Traditional name: (6-methoxynaphthalen-2-yl)methanol
• Synonyms: (6-methoxy-2-naphthyl)methanol

Database IDs

• CAS Number: 60201-22-1
• MDL Number: MFCD06202657
• PubChem SID: 164310406
• PubChem CID: 10012701

CALCULATED PROPERTIES

• Acid pKa: 14.964708
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0377016
• LogD (pH = 7.4): 2.0377016
• Log P: 2.0377016
• Molar Refractivity: 55.7873 cm^3
• Polarizability: 22.85134 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 2.197

Product Information

• Purity: 95%