6-methoxynaphthalen-1-ol

• ChemBase ID: 294880
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: Oc1c2ccc(OC)cc2ccc1
• Canonical SMILES: COc1ccc2c(c1)cccc2O
• InChI: InChI=1S/C11H10O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h2-7,12H,1H3
• InChIKey: LPPSENSUXVOOII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxynaphthalen-1-ol
• IUPAC Traditional name: 6-methoxynaphthalen-1-ol
• Synonyms: 6-Methoxynaphthalen-1-ol

Database IDs

• CAS Number: 22604-07-5
• MDL Number: MFCD03695468
• PubChem SID: 180680411
• PubChem CID: 11008416

CALCULATED PROPERTIES

• Acid pKa: 9.73027
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5014606
• LogD (pH = 7.4): 2.4994729
• Log P: 2.501486
• Molar Refractivity: 50.9523 cm^3
• Polarizability: 20.997316 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%