7-ethoxynaphthalen-2-ol

• ChemBase ID: 67856
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: c1c(ccc2ccc(cc12)OCC)O
• Canonical SMILES: CCOc1ccc2c(c1)cc(cc2)O
• InChI: InChI=1S/C12H12O2/c1-2-14-12-6-4-9-3-5-11(13)7-10(9)8-12/h3-8,13H,2H2,1H3
• InChIKey: JUCJMPYFZSOWCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxynaphthalen-2-ol
• IUPAC Traditional name: 7-ethoxynaphthalen-2-ol
• Synonyms: 7-Ethoxy-2-naphthalenol; 7-ethoxy-2-naphthol

Database IDs

• CAS Number: 57944-44-2
• MDL Number: MFCD11110689
• PubChem SID: 162033591
• PubChem CID: 12249485

CALCULATED PROPERTIES

• Acid pKa: 9.769887
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8582706
• LogD (pH = 7.4): 2.8564558
• Log P: 2.858294
• Molar Refractivity: 55.7009 cm^3
• Polarizability: 22.840397 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; min 98%