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32669-06-0 molecular structure
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[(2-chloroethoxy)(phenyl)methyl]benzene

ChemBase ID: 164285
Molecular Formular: C15H15ClO
Molecular Mass: 246.732
Monoisotopic Mass: 246.08114278
SMILES and InChIs

SMILES:
c1cccc(c1)C(c1ccccc1)OCCCl
Canonical SMILES:
ClCCOC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H15ClO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKey:
ZNVASENTCOLNJT-UHFFFAOYSA-N

Cite this record

CBID:164285 http://www.chembase.cn/molecule-164285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-chloroethoxy)(phenyl)methyl]benzene
IUPAC Traditional name
2-chloroethylbenzhydryl ether
Synonyms
Benzhydryl 2-Chloroethyl Ether
2-Chloroethyl Diphenylmethyl Ether
1,1'-[(2-Chloroethoxy)methylene]bis[benzene]
1,1'-[(2-chloroethoxy)methylene]bis-benzene
rac 2-Chloroethyl Benzhydryl Ether
CAS Number
32669-06-0
PubChem SID
162258420
PubChem CID
141724

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC C366025 external link Add to cart
PubChem 141724 external link
Data Source Data ID Price
TRC
C366025 external link Add to cart Please log in.
Data Source Data ID
PubChem 141724 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2977524  LogD (pH = 7.4) 4.2977524 
Log P 4.2977524  Molar Refractivity 71.2512 cm3
Polarizability 27.952007 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C366025 external link
Diphenhydramine intermediate.

REFERENCES

REFERENCES

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  • • Zhang, Y., et al.: J. Med. Chem., 43, 4840 (2000)
  • • Schmitt, K., et al.: J. Neurochem., 107, 928 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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