1,4-diphenoxybenzene

• ChemBase ID: 293990
• Molecular Formular: C18H14O2
• Molecular Mass: 262.30256
• Monoisotopic Mass: 262.09937969
• SMILES: c1(Oc2ccccc2)ccc(Oc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)Oc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
• InChIKey: UVGPELGZPWDPFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diphenoxybenzene
• IUPAC Traditional name: 1,4-diphenoxybenzene
• Synonyms: 1,4-Diphenoxybenzene; Hydroquinone diphenyl ether; 1,4-Diphenoxybenzene; 1,4-二苯氧基苯

Database IDs

• CAS Number: 3061-36-7
• EC Number: 000-000-0
• MDL Number: MFCD00038368
• Beilstein Number: 2215945
• PubChem SID: 180679521
• PubChem CID: 520487

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.97382
• LogD (pH = 7.4): 4.97382
• Log P: 4.97382
• Molar Refractivity: 78.5396 cm^3
• Polarizability: 31.03268 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-73°C
• Boiling Point: 172°C/0.01mm
• Flash Point: 202°C(395°F)
• Density: 1.083

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 95+%; 98%