Home > Compound List > Compound details
10289-45-9 molecular structure
click picture or here to close

1-phenyl-4-propylbenzene

ChemBase ID: 77114
Molecular Formular: C15H16
Molecular Mass: 196.28754
Monoisotopic Mass: 196.12520051
SMILES and InChIs

SMILES:
CCCc1ccc(cc1)c1ccccc1
Canonical SMILES:
CCCc1ccc(cc1)c1ccccc1
InChI:
InChI=1S/C15H16/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
InChIKey:
NAYIXKXYHOLMRC-UHFFFAOYSA-N

Cite this record

CBID:77114 http://www.chembase.cn/molecule-77114.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenyl-4-propylbenzene
IUPAC Traditional name
1-phenyl-4-propylbenzene
Synonyms
4-n-Propylbiphenyl
4-Propylbiphenyl
4-正丙基联苯
CAS Number
10289-45-9
71294-42-3
MDL Number
MFCD00102114
PubChem SID
162041988
PubChem CID
2734126

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2734126 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.02303  LogD (pH = 7.4) 5.02303 
Log P 5.02303  Molar Refractivity 65.4374 cm3
Polarizability 26.97546 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
5-17 expand Show data source
Boiling Point
109-111°C/1.5mm expand Show data source
Density
0.99 expand Show data source
TSCA Listed
expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle