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61343-82-6 molecular structure
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4-(2-phenylethoxy)benzaldehyde

ChemBase ID: 28217
Molecular Formular: C15H14O2
Molecular Mass: 226.27046
Monoisotopic Mass: 226.09937969
SMILES and InChIs

SMILES:
O=Cc1ccc(cc1)OCCc1ccccc1
Canonical SMILES:
O=Cc1ccc(cc1)OCCc1ccccc1
InChI:
InChI=1S/C15H14O2/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKey:
NWWORWIYBLAYJD-UHFFFAOYSA-N

Cite this record

CBID:28217 http://www.chembase.cn/molecule-28217.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-phenylethoxy)benzaldehyde
IUPAC Traditional name
4-(2-phenylethoxy)benzaldehyde
Synonyms
4-(2-Phenylethoxy)benzaldehyde
CAS Number
61343-82-6
MDL Number
MFCD04058515
PubChem SID
160991524
PubChem CID
5062074

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5062074 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5412111  LogD (pH = 7.4) 3.5412111 
Log P 3.5412111  Molar Refractivity 68.4728 cm3
Polarizability 26.111874 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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