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16133-83-8 molecular structure
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2-phenyloxolane

ChemBase ID: 63945
Molecular Formular: C10H12O
Molecular Mass: 148.20168
Monoisotopic Mass: 148.088815
SMILES and InChIs

SMILES:
C1(OCCC1)c1ccccc1
Canonical SMILES:
C1COC(C1)c1ccccc1
InChI:
InChI=1S/C10H12O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10H,4,7-8H2
InChIKey:
TZYYJCQVZHDEMI-UHFFFAOYSA-N

Cite this record

CBID:63945 http://www.chembase.cn/molecule-63945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenyloxolane
IUPAC Traditional name
2-phenyloxolane
Synonyms
2-Phenyl-tetrahydrofuran
CAS Number
16133-83-8
MDL Number
MFCD00961901
PubChem SID
162029684
PubChem CID
11389473

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069270 external link Add to cart Please log in.
Data Source Data ID
PubChem 11389473 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.314587  LogD (pH = 7.4) 2.314587 
Log P 2.314587  Molar Refractivity 44.8363 cm3
Polarizability 17.668344 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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