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7298-22-8 molecular structure
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1-[2,4-bis(benzyloxy)-5-methoxyphenyl]ethan-1-one

ChemBase ID: 172894
Molecular Formular: C23H22O4
Molecular Mass: 362.41838
Monoisotopic Mass: 362.15180918
SMILES and InChIs

SMILES:
c1(c(cc(c(c1)C(=O)C)OCc1ccccc1)OCc1ccccc1)OC
Canonical SMILES:
COc1cc(C(=O)C)c(cc1OCc1ccccc1)OCc1ccccc1
InChI:
InChI=1S/C23H22O4/c1-17(24)20-13-22(25-2)23(27-16-19-11-7-4-8-12-19)14-21(20)26-15-18-9-5-3-6-10-18/h3-14H,15-16H2,1-2H3
InChIKey:
UKVLAHANEXQLKD-UHFFFAOYSA-N

Cite this record

CBID:172894 http://www.chembase.cn/molecule-172894.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2,4-bis(benzyloxy)-5-methoxyphenyl]ethan-1-one
IUPAC Traditional name
1-[2,4-bis(benzyloxy)-5-methoxyphenyl]ethanone
Synonyms
2',4'-bis(Benzyloxy)-5'-methoxy-acetophenone
2,4-Dibenzyloxy-5-methoxyacetophenone
1-[5-Methoxy-2,4-bis(phenylmethoxy)phenyl]-ethanone
CAS Number
7298-22-8
PubChem SID
164228804
PubChem CID
15281256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M261145 external link Add to cart
PubChem 15281256 external link
Data Source Data ID Price
TRC
M261145 external link Add to cart Please log in.
Data Source Data ID
PubChem 15281256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.642607  H Acceptors
H Donor LogD (pH = 5.5) 4.506826 
LogD (pH = 7.4) 4.506826  Log P 4.506826 
Molar Refractivity 105.0756 cm3 Polarizability 40.80424 Å3
Polar Surface Area 44.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
Off-White Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M261145 external link
Intermediate in the synthesis of Glycitein (G635400).

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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