2-(1-bromoethyl)-6-methoxynaphthalene

• ChemBase ID: 286014
• Molecular Formular: C13H13BrO
• Molecular Mass: 265.14572
• Monoisotopic Mass: 264.01497704
• SMILES: c1(cc2c(cc(cc2)OC)cc1)C(Br)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(Br)C
• InChI: InChI=1S/C13H13BrO/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-9H,1-2H3
• InChIKey: XEEITBAXIABDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-bromoethyl)-6-methoxynaphthalene
• IUPAC Traditional name: 2-(1-bromoethyl)-6-methoxynaphthalene
• Synonyms: 2-(1-bromoethyl)-6-methoxynaphthalene

Database IDs

• MDL Number: MFCD11180255
• PubChem SID: 180671545
• PubChem CID: 10220939

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9943638
• LogD (pH = 7.4): 3.9943638
• Log P: 3.9943638
• Molar Refractivity: 66.2406 cm^3
• Polarizability: 26.581512 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.546

Product Information

• Purity: 95%