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5342-87-0 molecular structure
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1,2-diphenylpropan-2-ol

ChemBase ID: 137403
Molecular Formular: C15H16O
Molecular Mass: 212.28694
Monoisotopic Mass: 212.12011513
SMILES and InChIs

SMILES:
CC(Cc1ccccc1)(c1ccccc1)O
Canonical SMILES:
CC(c1ccccc1)(Cc1ccccc1)O
InChI:
InChI=1S/C15H16O/c1-15(16,14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3
InChIKey:
QRKNKDBJZVZQNE-UHFFFAOYSA-N

Cite this record

CBID:137403 http://www.chembase.cn/molecule-137403.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-diphenylpropan-2-ol
IUPAC Traditional name
1,2-diphenylpropan-2-ol
Synonyms
1,2-Diphenyl-2-propanol
1,2-二苯基-2-丙醇
CAS Number
5342-87-0
MDL Number
MFCD00074853
PubChem SID
162231666
PubChem CID
95356

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
273392 external link Add to cart Please log in.
Data Source Data ID
PubChem 95356 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.205364  H Acceptors
H Donor LogD (pH = 5.5) 3.559374 
LogD (pH = 7.4) 3.559374  Log P 3.559374 
Molar Refractivity 66.5499 cm3 Polarizability 26.042372 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C15H16O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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