sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride

C12H8Cl2INaO — CID 173433912

IUPACsodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride
SMILESOc1cccc(-c2c(Cl)cccc2Cl)c1I.[H-].[Na+]
InChIInChI=1S/C12H7Cl2IO.Na.H/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(16)12(7)15;;/h1-6,16H;;/q;+1;-1
InChIKeyZKGYIVTWBDKZIP-UHFFFAOYSA-N
MW389.00 g/mol
LogP2.09
Rot. Bonds1

About sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride

sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride (PubChem CID 173433912) has the molecular formula C12H8Cl2INaO and a molecular weight of 389.00 g/mol. Its IUPAC name is sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride.

Molecular Properties

Compound Namesodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride
PubChem CID173433912
Molecular FormulaC12H8Cl2INaO
Molecular Weight389.00 g/mol
Exact Mass387.89
IUPAC Namesodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride
SMILESOc1cccc(-c2c(Cl)cccc2Cl)c1I.[H-].[Na+]
InChIInChI=1S/C12H7Cl2IO.Na.H/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(16)12(7)15;;/h1-6,16H;;/q;+1;-1
InChIKeyZKGYIVTWBDKZIP-UHFFFAOYSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.00
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
CID 173433911
3-chloro-2-(2-chlorophenyl)phenol
CID 69117513
sodium;2,6-dichlorophenolate;2-iodophenol
CID 175356810
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
2-(2,6-dichlorophenyl)-4,5-difluorophenol
CID 119020027
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
CID 86037310
potassium;2,3-dichlorophenol;hydride
CID 174676852
2-chloro-6-(2,3,6-trichlorophenyl)phenol
CID 134620442
2-(2,6-dichlorophenyl)benzamide
CID 67032434
(2Z)-2-(4-chloro-5-hydroxyfluoren-9-ylidene)acetic acid
CID 82578817
2,3,5,6-tetrachloro-4-(2,3-dichlorophenyl)phenol;hydrate
CID 138395099

Frequently Asked Questions

What is the IUPAC name of sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride?
The IUPAC name of sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride (CID 173433912) is sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride.
What is the SMILES notation for sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride?
The canonical SMILES for sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride is Oc1cccc(-c2c(Cl)cccc2Cl)c1I.[H-].[Na+].
What is the InChIKey of sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride?
The InChIKey is ZKGYIVTWBDKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2IO.Na.H/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(16)12(7)15;;/h1-6,16H;;/q;+1;-1.
What are the key properties of sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride?
sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride has a molecular weight of 389.00 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(2,6-dichlorophenyl)-2-iodophenol;hydride is sourced from PubChem (CID 173433912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).