1-(2-bromoethoxy)-4-phenoxybenzene

• ChemBase ID: 281321
• Molecular Formular: C14H13BrO2
• Molecular Mass: 293.15582
• Monoisotopic Mass: 292.00989166
• SMILES: O(c1ccc(cc1)OCCBr)c1ccccc1
• Canonical SMILES: BrCCOc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C14H13BrO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11H2
• InChIKey: DHBGFBFDCPJARX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromoethoxy)-4-phenoxybenzene
• IUPAC Traditional name: 1-(2-bromoethoxy)-4-phenoxybenzene
• Synonyms: 1-(2-bromoethoxy)-4-phenoxybenzene

Database IDs

• MDL Number: MFCD00446389
• PubChem SID: 180666852
• PubChem CID: 13254487

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.165847
• LogD (pH = 7.4): 4.165847
• Log P: 4.165847
• Molar Refractivity: 71.0888 cm^3
• Polarizability: 27.633017 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35 - 37°C
• Hydrophobicity(logP): 4.891

Product Information

• Purity: 95%