bis[4-(2-chloroethoxy)phenyl]iodanium

C16H16Cl2IO2+ — CID 20582192

IUPACbis[4-(2-chloroethoxy)phenyl]iodanium
SMILESClCCOc1ccc([I+]c2ccc(OCCCl)cc2)cc1
InChIInChI=1S/C16H16Cl2IO2/c17-9-11-20-15-5-1-13(2-6-15)19-14-3-7-16(8-4-14)21-12-10-18/h1-8H,9-12H2/q+1
InChIKeyITJDQFFRNOLJKS-UHFFFAOYSA-N
MW438.11 g/mol
LogP1.05
Rot. Bonds8

About bis[4-(2-chloroethoxy)phenyl]iodanium

bis[4-(2-chloroethoxy)phenyl]iodanium (PubChem CID 20582192) has the molecular formula C16H16Cl2IO2+ and a molecular weight of 438.11 g/mol. Its IUPAC name is bis[4-(2-chloroethoxy)phenyl]iodanium.

Molecular Properties

Compound Namebis[4-(2-chloroethoxy)phenyl]iodanium
PubChem CID20582192
Molecular FormulaC16H16Cl2IO2+
Molecular Weight438.11 g/mol
Exact Mass436.96
IUPAC Namebis[4-(2-chloroethoxy)phenyl]iodanium
SMILESClCCOc1ccc([I+]c2ccc(OCCCl)cc2)cc1
InChIInChI=1S/C16H16Cl2IO2/c17-9-11-20-15-5-1-13(2-6-15)19-14-3-7-16(8-4-14)21-12-10-18/h1-8H,9-12H2/q+1
InChIKeyITJDQFFRNOLJKS-UHFFFAOYSA-N
XLogP1.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.11
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
4-(2-chloroethoxy)benzonitrile
CID 12503864
[4-(2-chloroethoxy)phenyl]methylidenehydrazine
CID 168529045
[4-(4-bromobutoxy)phenyl]-phenyliodanium
CID 150846349
bis[4-(2-phenoxyethyl)phenyl]iodanium
CID 178069647
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
CID 151179000
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
(4-octadecoxyphenyl)-phenyliodanium hexafluorophosphate
CID 22342087
1-[(E)-2-chloro-1,2-diphenylethenyl]-4-(2-chloroethoxy)benzene
CID 164901767

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-chloroethoxy)phenyl]iodanium?
The IUPAC name of bis[4-(2-chloroethoxy)phenyl]iodanium (CID 20582192) is bis[4-(2-chloroethoxy)phenyl]iodanium.
What is the SMILES notation for bis[4-(2-chloroethoxy)phenyl]iodanium?
The canonical SMILES for bis[4-(2-chloroethoxy)phenyl]iodanium is ClCCOc1ccc([I+]c2ccc(OCCCl)cc2)cc1.
What is the InChIKey of bis[4-(2-chloroethoxy)phenyl]iodanium?
The InChIKey is ITJDQFFRNOLJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2IO2/c17-9-11-20-15-5-1-13(2-6-15)19-14-3-7-16(8-4-14)21-12-10-18/h1-8H,9-12H2/q+1.
What are the key properties of bis[4-(2-chloroethoxy)phenyl]iodanium?
bis[4-(2-chloroethoxy)phenyl]iodanium has a molecular weight of 438.11 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-chloroethoxy)phenyl]iodanium is sourced from PubChem (CID 20582192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).