1-(2-bromoethoxy)naphthalene

• ChemBase ID: 264447
• Molecular Formular: C12H11BrO
• Molecular Mass: 251.11914
• Monoisotopic Mass: 249.99932697
• SMILES: c12c(OCCBr)cccc1cccc2
• Canonical SMILES: BrCCOc1cccc2c1cccc2
• InChI: InChI=1S/C12H11BrO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2
• InChIKey: OBGFJKNQKBMXBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)naphthalene
• IUPAC Traditional name: 1-(2-bromoethoxy)naphthalene
• Synonyms: 1-(2-bromoethoxy)naphthalene

Database IDs

• MDL Number: MFCD02030865
• PubChem SID: 164320357
• PubChem CID: 11075906

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6550364
• LogD (pH = 7.4): 3.6550364
• Log P: 3.6550364
• Molar Refractivity: 61.2982 cm^3
• Polarizability: 24.74974 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.967

Product Information

• Purity: 95%