Home > Compound List > Compound details
93898-91-0 molecular structure
click picture or here to close

2-(2-phenylethoxy)benzaldehyde

ChemBase ID: 28215
Molecular Formular: C15H14O2
Molecular Mass: 226.27046
Monoisotopic Mass: 226.09937969
SMILES and InChIs

SMILES:
c1(c(OCCc2ccccc2)cccc1)C=O
Canonical SMILES:
O=Cc1ccccc1OCCc1ccccc1
InChI:
InChI=1S/C15H14O2/c16-12-14-8-4-5-9-15(14)17-11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKey:
BOZPKSQHOCUCFO-UHFFFAOYSA-N

Cite this record

CBID:28215 http://www.chembase.cn/molecule-28215.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-phenylethoxy)benzaldehyde
IUPAC Traditional name
2-(2-phenylethoxy)benzaldehyde
Synonyms
2-(2-Phenylethoxy)benzaldehyde
CAS Number
93898-91-0
MDL Number
MFCD03820021
PubChem SID
160991522
PubChem CID
1249706

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1249706 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 26.114473 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle