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6738-04-1 molecular structure
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1-phenoxy-2-phenylbenzene

ChemBase ID: 302018
Molecular Formular: C18H14O
Molecular Mass: 246.30316
Monoisotopic Mass: 246.10446507
SMILES and InChIs

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

Cite this record

CBID:302018 http://www.chembase.cn/molecule-302018.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
6738-04-1
EC Number
229-793-3
MDL Number
MFCD00003035
Beilstein Number
2371408

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L06183 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1207585  LogD (pH = 7.4) 5.1207585 
Log P 5.1207585  Molar Refractivity 77.435 cm3
Polarizability 31.806355 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
47-50°C expand Show data source
TSCA Listed
expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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