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530-46-1 molecular structure
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(4-fluorophenyl)(4-methylphenyl)methanone

ChemBase ID: 797312
Molecular Formular: C14H11FO
Molecular Mass: 214.2349432
Monoisotopic Mass: 214.07939319
SMILES and InChIs

SMILES:
C(=O)(c1ccc(cc1)C)c1ccc(cc1)F
Canonical SMILES:
Cc1ccc(cc1)C(=O)c1ccc(cc1)F
InChI:
InChI=1S/C14H11FO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2-9H,1H3
InChIKey:
SLMBDAUYJQQTRF-UHFFFAOYSA-N

Cite this record

CBID:797312 http://www.chembase.cn/molecule-797312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-fluorophenyl)(4-methylphenyl)methanone
IUPAC Traditional name
(4-fluorophenyl)(4-methylphenyl)methanone
Synonyms
(4-Fluorophenyl)(p-tolyl)Methanone
CAS Number
530-46-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6767 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6767 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.088722  LogD (pH = 7.4) 4.088722 
Log P 4.088722  Molar Refractivity 61.8911 cm3
Polarizability 23.387205 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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