Home > Compound List > Compound details
667412-71-7 molecular structure
click picture or here to close

5-chloro-2-[(3-methoxyphenyl)methoxy]benzaldehyde

ChemBase ID: 26003
Molecular Formular: C15H13ClO3
Molecular Mass: 276.71492
Monoisotopic Mass: 276.05532196
SMILES and InChIs

SMILES:
c1(c(OCc2cc(OC)ccc2)ccc(c1)Cl)C=O
Canonical SMILES:
COc1cccc(c1)COc1ccc(cc1C=O)Cl
InChI:
InChI=1S/C15H13ClO3/c1-18-14-4-2-3-11(7-14)10-19-15-6-5-13(16)8-12(15)9-17/h2-9H,10H2,1H3
InChIKey:
ULOPFCRUFJOGQC-UHFFFAOYSA-N

Cite this record

CBID:26003 http://www.chembase.cn/molecule-26003.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-[(3-methoxyphenyl)methoxy]benzaldehyde
IUPAC Traditional name
5-chloro-2-[(3-methoxyphenyl)methoxy]benzaldehyde
Synonyms
5-Chloro-2-[(3-methoxybenzyl)oxy]benzaldehyde
CAS Number
667412-71-7
MDL Number
MFCD03422436
PubChem SID
160989310
PubChem CID
3752550

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3752550 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6989233  LogD (pH = 7.4) 3.6989233 
Log P 3.6989233  Molar Refractivity 74.9858 cm3
Polarizability 28.713486 Å3 Polar Surface Area 35.53 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