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

C12H8Cl2INaO — CID 173433911

IUPACsodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
SMILESOc1cccc(I)c1-c1c(Cl)cccc1Cl.[H-].[Na+]
InChIInChI=1S/C12H7Cl2IO.Na.H/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16;;/h1-6,16H;;/q;+1;-1
InChIKeyQYCAVPNJXZVFDX-UHFFFAOYSA-N
MW389.00 g/mol
LogP2.09
Rot. Bonds1

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

sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride (PubChem CID 173433911) has the molecular formula C12H8Cl2INaO and a molecular weight of 389.00 g/mol. Its IUPAC name is sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride.

Molecular Properties

Compound Namesodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
PubChem CID173433911
Molecular FormulaC12H8Cl2INaO
Molecular Weight389.00 g/mol
Exact Mass387.89
IUPAC Namesodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride
SMILESOc1cccc(I)c1-c1c(Cl)cccc1Cl.[H-].[Na+]
InChIInChI=1S/C12H7Cl2IO.Na.H/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16;;/h1-6,16H;;/q;+1;-1
InChIKeyQYCAVPNJXZVFDX-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride?
The IUPAC name of sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride (CID 173433911) is sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride.
What is the SMILES notation for sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride?
The canonical SMILES for sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride is Oc1cccc(I)c1-c1c(Cl)cccc1Cl.[H-].[Na+].
What is the InChIKey of sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride?
The InChIKey is QYCAVPNJXZVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2IO.Na.H/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16;;/h1-6,16H;;/q;+1;-1.
What are the key properties of sodium;2-(2,6-dichlorophenyl)-3-iodophenol;hydride?
sodium;2-(2,6-dichlorophenyl)-3-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;2-(2,6-dichlorophenyl)-3-iodophenol;hydride is sourced from PubChem (CID 173433911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).