[(2-bromoethoxy)(phenyl)methyl]benzene

• ChemBase ID: 252132
• Molecular Formular: C15H15BrO
• Molecular Mass: 291.183
• Monoisotopic Mass: 290.0306271
• SMILES: C(c1ccccc1)(c1ccccc1)OCCBr
• Canonical SMILES: BrCCOC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15BrO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
• InChIKey: HYARBELXZXURQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromoethoxy)(phenyl)methyl]benzene
• IUPAC Traditional name: [(2-bromoethoxy)(phenyl)methyl]benzene
• Synonyms: [(2-bromoethoxy)(phenyl)methyl]benzene

Database IDs

• CAS Number: 6305-20-0
• MDL Number: MFCD08239620
• PubChem SID: 164308042
• PubChem CID: 237821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4832478
• LogD (pH = 7.4): 4.4832478
• Log P: 4.4832478
• Molar Refractivity: 74.2347 cm^3
• Polarizability: 28.70227 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.0

Product Information

• Purity: 95%