1-bromo-4-(2-phenylethoxy)benzene

• ChemBase ID: 279336
• Molecular Formular: C14H13BrO
• Molecular Mass: 277.15642
• Monoisotopic Mass: 276.01497704
• SMILES: c1(Br)ccc(cc1)OCCc1ccccc1
• Canonical SMILES: Brc1ccc(cc1)OCCc1ccccc1
• InChI: InChI=1S/C14H13BrO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
• InChIKey: GIPNOEYPGXQTBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(2-phenylethoxy)benzene
• IUPAC Traditional name: 1-bromo-4-(2-phenylethoxy)benzene
• Synonyms: 1-bromo-4-(2-phenylethoxy)benzene

Database IDs

• MDL Number: MFCD11123720
• PubChem SID: 164335246
• PubChem CID: 22472796

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5974617
• LogD (pH = 7.4): 4.5974617
• Log P: 4.5974617
• Molar Refractivity: 69.5116 cm^3
• Polarizability: 26.884895 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 5.161

Product Information

• Purity: 95%