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16766-63-5 molecular structure
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3-phenyloxolane

ChemBase ID: 63943
Molecular Formular: C10H12O
Molecular Mass: 148.20168
Monoisotopic Mass: 148.088815
SMILES and InChIs

SMILES:
c1(C2CCOC2)ccccc1
Canonical SMILES:
C1OCC(C1)c1ccccc1
InChI:
InChI=1S/C10H12O/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-5,10H,6-8H2
InChIKey:
CQGVPYYFEIFRKZ-UHFFFAOYSA-N

Cite this record

CBID:63943 http://www.chembase.cn/molecule-63943.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenyloxolane
IUPAC Traditional name
3-phenyloxolane
Synonyms
3-Phenyl-tetrahydrofuran
CAS Number
16766-63-5
MDL Number
MFCD18911036
PubChem SID
162029682
PubChem CID
576088

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069268 external link Add to cart Please log in.
Data Source Data ID
PubChem 576088 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0291238  LogD (pH = 7.4) 2.0291238 
Log P 2.0291238  Molar Refractivity 45.1201 cm3
Polarizability 17.59196 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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