(2-ethoxynaphthalen-1-yl)methanol

• ChemBase ID: 255141
• Molecular Formular: C13H14O2
• Molecular Mass: 202.24906
• Monoisotopic Mass: 202.09937969
• SMILES: c1(c2c(ccc1OCC)cccc2)CO
• Canonical SMILES: CCOc1ccc2c(c1CO)cccc2
• InChI: InChI=1S/C13H14O2/c1-2-15-13-8-7-10-5-3-4-6-11(10)12(13)9-14/h3-8,14H,2,9H2,1H3
• InChIKey: USEQXNGDJGPZOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxynaphthalen-1-yl)methanol
• IUPAC Traditional name: (2-ethoxynaphthalen-1-yl)methanol
• Synonyms: (2-ethoxy-1-naphthyl)methanol

Database IDs

• CAS Number: 690963-44-1
• MDL Number: MFCD03715925
• PubChem SID: 164311051
• PubChem CID: 896304

CALCULATED PROPERTIES

• Acid pKa: 14.857556
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3945096
• LogD (pH = 7.4): 2.3945096
• Log P: 2.3945096
• Molar Refractivity: 60.5359 cm^3
• Polarizability: 24.69958 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 2.726

Product Information

• Purity: 95%