2-(naphthalen-2-yloxy)ethan-1-ol

• ChemBase ID: 37092
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: c1c2c(ccc1)cc(cc2)OCCO
• Canonical SMILES: OCCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H12O2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2
• InChIKey: BQPBZDSDFCDSAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-naphthyloxy)ethanol
• Synonyms: 2-(2-Hydroxyethoxy)naphthalene; 2-(2-Naphthoxy)ethanol; 2-(2-Naphthyloxy)ethanol; 2-(2-萘氧基)乙醇

Database IDs

• CAS Number: 93-20-9
• EC Number: 202-228-8
• MDL Number: MFCD00016809
• Beilstein Number: 2086973
• Merck Index: 146413
• PubChem SID: 161000399
• PubChem CID: 7131

CALCULATED PROPERTIES

• Acid pKa: 15.102173
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1149492
• LogD (pH = 7.4): 2.1149492
• Log P: 2.1149492
• Molar Refractivity: 55.2637 cm^3
• Polarizability: 22.857567 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-76°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 98+%