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7143-76-2 molecular structure
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cyclopropyl(4-methylphenyl)methanone

ChemBase ID: 250074
Molecular Formular: C11H12O
Molecular Mass: 160.21238
Monoisotopic Mass: 160.088815
SMILES and InChIs

SMILES:
C1(C(=O)c2ccc(cc2)C)CC1
Canonical SMILES:
O=C(c1ccc(cc1)C)C1CC1
InChI:
InChI=1S/C11H12O/c1-8-2-4-9(5-3-8)11(12)10-6-7-10/h2-5,10H,6-7H2,1H3
InChIKey:
TUZLFHYUOUBZOK-UHFFFAOYSA-N

Cite this record

CBID:250074 http://www.chembase.cn/molecule-250074.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopropyl(4-methylphenyl)methanone
IUPAC Traditional name
cyclopropyl(4-methylphenyl)methanone
Synonyms
cyclopropyl(4-methylphenyl)methanone
CAS Number
7143-76-2
MDL Number
MFCD00019233
PubChem SID
164305984
PubChem CID
81561

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14254 external link Add to cart Please log in.
Data Source Data ID
PubChem 81561 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.001568  H Acceptors
H Donor LogD (pH = 5.5) 2.824111 
LogD (pH = 7.4) 2.824111  Log P 2.824111 
Molar Refractivity 48.9012 cm3 Polarizability 18.792725 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
47 - 49°C expand Show data source
Hydrophobicity(logP)
2.434 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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