1-phenoxy-2-phenylbenzene

• ChemBase ID: 302018
• Molecular Formular: C18H14O
• Molecular Mass: 246.30316
• Monoisotopic Mass: 246.10446507
• SMILES: c1ccc(cc1)c1ccccc1Oc1ccccc1
• Canonical SMILES: c1ccc(cc1)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C18H14O/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16/h1-14H
• InChIKey: UHJWZORSTYATLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenoxy-2-phenylbenzene
• IUPAC Traditional name: 1-phenoxy-2-phenylbenzene
• Synonyms: 2-Biphenylyl phenyl ether; 2-Phenyldiphenyl ether; 2-Phenoxybiphenyl; 2-苯氧基联苯

Database IDs

• CAS Number: 6738-04-1
• EC Number: 229-793-3
• MDL Number: MFCD00003035
• Beilstein Number: 2371408

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1207585
• LogD (pH = 7.4): 5.1207585
• Log P: 5.1207585
• Molar Refractivity: 77.435 cm^3
• Polarizability: 31.806355 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 47-50°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%