1,4-bis(benzyloxy)benzene

• ChemBase ID: 295989
• Molecular Formular: C20H18O2
• Molecular Mass: 290.35572
• Monoisotopic Mass: 290.13067982
• SMILES: c1ccc(cc1)COc1ccc(cc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2
• InChIKey: DYULYMCXVSRUPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(benzyloxy)benzene
• IUPAC Traditional name: benzyl hydroquinone
• Synonyms: Hydroquinone dibenzyl ether; 1,4-Dibenzyloxybenzene; 1,4-二苄氧基苯

Database IDs

• CAS Number: 621-91-0
• EC Number: 210-714-6
• MDL Number: MFCD00016875
• Beilstein Number: 2058196
• PubChem SID: 180681520
• PubChem CID: 69315

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1068497
• LogD (pH = 7.4): 5.1068497
• Log P: 5.1068497
• Molar Refractivity: 88.2096 cm^3
• Polarizability: 34.59835 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 125-128°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%