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2235-01-0 molecular structure
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[dimethoxy(phenyl)methyl]benzene

ChemBase ID: 301873
Molecular Formular: C15H16O2
Molecular Mass: 228.28634
Monoisotopic Mass: 228.11502975
SMILES and InChIs

SMILES:
COC(c1ccccc1)(c1ccccc1)OC
Canonical SMILES:
COC(c1ccccc1)(c1ccccc1)OC
InChI:
InChI=1S/C15H16O2/c1-16-15(17-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey:
NYRVXYOKUZSUDA-UHFFFAOYSA-N

Cite this record

CBID:301873 http://www.chembase.cn/molecule-301873.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[dimethoxy(phenyl)methyl]benzene
IUPAC Traditional name
[dimethoxy(phenyl)methyl]benzene
Synonyms
Benzophenone dimethyl ketal
Dimethoxydiphenylmethane
Benzophenone dimethyl acetal
苯甲酮二甲基缩酮
CAS Number
2235-01-0
EC Number
218-788-1
MDL Number
MFCD00025900
Beilstein Number
2051419

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 4.086705  Log P 4.086705 
Molar Refractivity 68.1264 cm3 Polarizability 26.833681 Å3
Polar Surface Area 18.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 4.086705 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
104-108°C expand Show data source
Boiling Point
290°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
TSCA Listed
expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Has been used in the presence of tosic acid for the protection of diols as their 2,2-diphenyl-1,3-dioxolanes. The group was selectively cleaved with Li metal in liquid ammonia: Tetrahedron, 51, 5315 (1995).
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PATENTS

PATENTS

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INTERNET

INTERNET

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