2-bromo-6-(1-ethoxyethoxy)naphthalene

• ChemBase ID: 78566
• Molecular Formular: C14H15BrO2
• Molecular Mass: 295.1717
• Monoisotopic Mass: 294.02554172
• SMILES: Brc1cc2ccc(cc2cc1)OC(C)OCC
• Canonical SMILES: CCOC(Oc1ccc2c(c1)ccc(c2)Br)C
• InChI: InChI=1S/C14H15BrO2/c1-3-16-10(2)17-14-7-5-11-8-13(15)6-4-12(11)9-14/h4-10H,3H2,1-2H3
• InChIKey: XPCZRVLEXALHNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(1-ethoxyethoxy)naphthalene
• IUPAC Traditional name: 2-bromo-6-(1-ethoxyethoxy)naphthalene
• Synonyms: 2-Bromo-6-[1-(2-ethoxy)ethoxy]naphthalene 95+%

Database IDs

• MDL Number: MFCD08741420
• PubChem SID: 162043329
• PubChem CID: 22895695

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2232704
• LogD (pH = 7.4): 4.2232704
• Log P: 4.2232704
• Molar Refractivity: 72.0381 cm^3
• Polarizability: 29.229664 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant