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726-18-1 molecular structure
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1-methoxy-4-[(4-methoxyphenyl)methyl]benzene

ChemBase ID: 108862
Molecular Formular: C15H16O2
Molecular Mass: 228.28634
Monoisotopic Mass: 228.11502975
SMILES and InChIs

SMILES:
COc1ccc(Cc2ccc(OC)cc2)cc1
Canonical SMILES:
COc1ccc(cc1)Cc1ccc(cc1)OC
InChI:
InChI=1S/C15H16O2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2,1-2H3
InChIKey:
WECJUPODCKXNQK-UHFFFAOYSA-N

Cite this record

CBID:108862 http://www.chembase.cn/molecule-108862.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxy-4-[(4-methoxyphenyl)methyl]benzene
IUPAC Traditional name
1-methoxy-4-[(4-methoxyphenyl)methyl]benzene
Synonyms
4,4'-DIMETHOXYDIPHENYLMETHANE
CAS Number
726-18-1
PubChem SID
162094428
PubChem CID
219137

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
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MP Biomedicals
05209028 external link Add to cart Please log in.
Data Source Data ID
PubChem 219137 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7496972  LogD (pH = 7.4) 3.7496972 
Log P 3.7496972  Molar Refractivity 68.7216 cm3
Polarizability 26.739532 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05209028 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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