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5623-25-6 molecular structure
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2-hydroxy-1,2-bis(4-phenylphenyl)ethan-1-one

ChemBase ID: 232995
Molecular Formular: C26H20O2
Molecular Mass: 364.4358
Monoisotopic Mass: 364.14632988
SMILES and InChIs

SMILES:
C(=O)(C(c1ccc(cc1)c1ccccc1)O)c1ccc(cc1)c1ccccc1
Canonical SMILES:
OC(C(=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C26H20O2/c27-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(28)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25,27H
InChIKey:
MGUZTXXISNAEDO-UHFFFAOYSA-N

Cite this record

CBID:232995 http://www.chembase.cn/molecule-232995.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-1,2-bis(4-phenylphenyl)ethan-1-one
IUPAC Traditional name
2-hydroxy-1,2-bis(4-phenylphenyl)ethanone
Synonyms
1,2-di-1,1'-biphenyl-4-yl-2-hydroxyethanone
CAS Number
5623-25-6
MDL Number
MFCD01454300
PubChem SID
164288905
PubChem CID
275041

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-07557 external link Add to cart Please log in.
Data Source Data ID
PubChem 275041 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.599591  H Acceptors
H Donor LogD (pH = 5.5) 5.9445252 
LogD (pH = 7.4) 5.944523  Log P 5.9445252 
Molar Refractivity 112.7933 cm3 Polarizability 46.41375 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
6.155 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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