sodium;2,6-dichlorophenolate;2-iodophenol

C12H8Cl2INaO2 — CID 175356810

IUPACsodium;2,6-dichlorophenolate;2-iodophenol
SMILESOc1ccccc1I.[Na+].[O-]c1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O.C6H5IO.Na/c7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;/h1-3,9H;1-4,8H;/q;;+1/p-1
InChIKeyMCYRZGLWZGBWHY-UHFFFAOYSA-M
MW404.99 g/mol
LogP1.07
Rot. Bonds

About sodium;2,6-dichlorophenolate;2-iodophenol

sodium;2,6-dichlorophenolate;2-iodophenol (PubChem CID 175356810) has the molecular formula C12H8Cl2INaO2 and a molecular weight of 404.99 g/mol. Its IUPAC name is sodium;2,6-dichlorophenolate;2-iodophenol.

Molecular Properties

Compound Namesodium;2,6-dichlorophenolate;2-iodophenol
PubChem CID175356810
Molecular FormulaC12H8Cl2INaO2
Molecular Weight404.99 g/mol
Exact Mass403.88
IUPAC Namesodium;2,6-dichlorophenolate;2-iodophenol
SMILESOc1ccccc1I.[Na+].[O-]c1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O.C6H5IO.Na/c7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;/h1-3,9H;1-4,8H;/q;;+1/p-1
InChIKeyMCYRZGLWZGBWHY-UHFFFAOYSA-M
XLogP1.07
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.99
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodophenol
CID 10784
sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
CID 173433911
bis(2,6-dichlorophenolate);titanium(4+);dichloride
CID 100950871
2-iodophenol;3,4,5-trichlorophenol
CID 154941480
2,5-dichlorophenol;2-iodophenol
CID 70439012
sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride
CID 173433912
potassium;2,3-dichlorophenol;hydride
CID 174676852
1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
CID 86037310
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
2-iodophenol;4-iodophenol
CID 67440889
2-iodophenol;3-iodophenol
CID 68975809
bis(2-chlorophenol);tungsten
CID 88625581

Frequently Asked Questions

What is the IUPAC name of sodium;2,6-dichlorophenolate;2-iodophenol?
The IUPAC name of sodium;2,6-dichlorophenolate;2-iodophenol (CID 175356810) is sodium;2,6-dichlorophenolate;2-iodophenol.
What is the SMILES notation for sodium;2,6-dichlorophenolate;2-iodophenol?
The canonical SMILES for sodium;2,6-dichlorophenolate;2-iodophenol is Oc1ccccc1I.[Na+].[O-]c1c(Cl)cccc1Cl.
What is the InChIKey of sodium;2,6-dichlorophenolate;2-iodophenol?
The InChIKey is MCYRZGLWZGBWHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O.C6H5IO.Na/c7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;/h1-3,9H;1-4,8H;/q;;+1/p-1.
What are the key properties of sodium;2,6-dichlorophenolate;2-iodophenol?
sodium;2,6-dichlorophenolate;2-iodophenol has a molecular weight of 404.99 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,6-dichlorophenolate;2-iodophenol is sourced from PubChem (CID 175356810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).