Home > Compound List > Compound details
MFCD16350622 molecular structure
click picture or here to close

1-(4-chlorophenyl)-5-phenylpentan-2-one

ChemBase ID: 270198
Molecular Formular: C17H17ClO
Molecular Mass: 272.76928
Monoisotopic Mass: 272.09679284
SMILES and InChIs

SMILES:
O=C(Cc1ccc(Cl)cc1)CCCc1ccccc1
Canonical SMILES:
O=C(Cc1ccc(cc1)Cl)CCCc1ccccc1
InChI:
InChI=1S/C17H17ClO/c18-16-11-9-15(10-12-16)13-17(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2
InChIKey:
ZAFZDRLDILIFJF-UHFFFAOYSA-N

Cite this record

CBID:270198 http://www.chembase.cn/molecule-270198.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-chlorophenyl)-5-phenylpentan-2-one
IUPAC Traditional name
1-(4-chlorophenyl)-5-phenylpentan-2-one
Synonyms
1-(4-chlorophenyl)-5-phenylpentan-2-one
MDL Number
MFCD16350622
PubChem SID
164326108
PubChem CID
50988848

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68954 external link Add to cart Please log in.
Data Source Data ID
PubChem 50988848 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.430858  H Acceptors
H Donor LogD (pH = 5.5) 5.2681413 
LogD (pH = 7.4) 5.2681413  Log P 5.2681413 
Molar Refractivity 79.6454 cm3 Polarizability 31.073034 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
31 - 33°C expand Show data source
Hydrophobicity(logP)
4.619 expand Show data source
Purity
95% 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