Home > Compound List > Compound details
954238-25-6 molecular structure
click picture or here to close

2-(5-iodo-2,4-dimethoxyphenyl)-1,3-dioxolane

ChemBase ID: 797771
Molecular Formular: C11H13IO4
Molecular Mass: 336.12299
Monoisotopic Mass: 335.9858569
SMILES and InChIs

SMILES:
O1C(OCC1)c1c(cc(c(c1)I)OC)OC
Canonical SMILES:
COc1cc(OC)c(cc1C1OCCO1)I
InChI:
InChI=1S/C11H13IO4/c1-13-9-6-10(14-2)8(12)5-7(9)11-15-3-4-16-11/h5-6,11H,3-4H2,1-2H3
InChIKey:
MKJCBPHDCYOBLO-UHFFFAOYSA-N

Cite this record

CBID:797771 http://www.chembase.cn/molecule-797771.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5-iodo-2,4-dimethoxyphenyl)-1,3-dioxolane
IUPAC Traditional name
2-(5-iodo-2,4-dimethoxyphenyl)-1,3-dioxolane
Synonyms
2-(5-Iodo-2,4-dimethoxy-phenyl)-[1,3]dioxolane
CAS Number
954238-25-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9744 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9744 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.570002  LogD (pH = 7.4) 2.570002 
Log P 2.570002  Molar Refractivity 67.7261 cm3
Polarizability 26.84451 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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