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35114-93-3 molecular structure
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1-[4-(4-fluorophenoxy)phenyl]ethan-1-one

ChemBase ID: 97251
Molecular Formular: C14H11FO2
Molecular Mass: 230.2343432
Monoisotopic Mass: 230.07430781
SMILES and InChIs

SMILES:
Fc1ccc(cc1)Oc1ccc(cc1)C(=O)C
Canonical SMILES:
Fc1ccc(cc1)Oc1ccc(cc1)C(=O)C
InChI:
InChI=1S/C14H11FO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3
InChIKey:
HPLGELQKWAOYKR-UHFFFAOYSA-N

Cite this record

CBID:97251 http://www.chembase.cn/molecule-97251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(4-fluorophenoxy)phenyl]ethan-1-one
IUPAC Traditional name
1-[4-(4-fluorophenoxy)phenyl]ethanone
Synonyms
1-[4-(4-Fluorophenoxy)phenyl]ethanone
CAS Number
35114-93-3
MDL Number
MFCD02246922
PubChem SID
162083862
PubChem CID
2759056

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC4228 external link Add to cart Please log in.
Data Source Data ID
PubChem 2759056 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.207983  H Acceptors
H Donor LogD (pH = 5.5) 3.1738825 
LogD (pH = 7.4) 3.1738825  Log P 3.1738825 
Molar Refractivity 62.918 cm3 Polarizability 24.041563 Å3
Polar Surface Area 26.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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