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35216-08-1 molecular structure
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1-[4-(furan-2-yl)phenyl]ethan-1-one

ChemBase ID: 91639
Molecular Formular: C12H10O2
Molecular Mass: 186.2066
Monoisotopic Mass: 186.06807956
SMILES and InChIs

SMILES:
o1cccc1c1ccc(cc1)C(=O)C
Canonical SMILES:
CC(=O)c1ccc(cc1)c1ccco1
InChI:
InChI=1S/C12H10O2/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3
InChIKey:
DZYPVRCSWGDVFN-UHFFFAOYSA-N

Cite this record

CBID:91639 http://www.chembase.cn/molecule-91639.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(furan-2-yl)phenyl]ethan-1-one
IUPAC Traditional name
1-[4-(furan-2-yl)phenyl]ethanone
Synonyms
1-[4-(2-Furyl)phenyl]ethanone
CAS Number
35216-08-1
MDL Number
MFCD05022494
PubChem SID
162078338
PubChem CID
5171148

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR7424 external link Add to cart Please log in.
Data Source Data ID
PubChem 5171148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.935293  H Acceptors
H Donor LogD (pH = 5.5) 2.2383654 
LogD (pH = 7.4) 2.2383654  Log P 2.2383654 
Molar Refractivity 53.9879 cm3 Polarizability 21.908064 Å3
Polar Surface Area 30.21 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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