CID 155601445

C6H4IOSi — CID 155601445

IUPAC—
SMILESOc1ccc(I)c([Si])c1
InChIInChI=1S/C6H4IOSi/c7-5-2-1-4(8)3-6(5)9/h1-3,8H
InChIKeyZWTMGHGNJHBRPE-UHFFFAOYSA-N
MW247.09 g/mol
LogP0.79
Rot. Bonds

About CID 155601445

CID 155601445 (PubChem CID 155601445) has the molecular formula C6H4IOSi and a molecular weight of 247.09 g/mol.

Molecular Properties

Compound NameCID 155601445
PubChem CID155601445
Molecular FormulaC6H4IOSi
Molecular Weight247.09 g/mol
Exact Mass246.91
IUPAC Name—
SMILESOc1ccc(I)c([Si])c1
InChIInChI=1S/C6H4IOSi/c7-5-2-1-4(8)3-6(5)9/h1-3,8H
InChIKeyZWTMGHGNJHBRPE-UHFFFAOYSA-N
XLogP0.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155601445?
The IUPAC name of CID 155601445 (CID 155601445) is not available.
What is the SMILES notation for CID 155601445?
The canonical SMILES for CID 155601445 is Oc1ccc(I)c([Si])c1.
What is the InChIKey of CID 155601445?
The InChIKey is ZWTMGHGNJHBRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IOSi/c7-5-2-1-4(8)3-6(5)9/h1-3,8H.
What are the key properties of CID 155601445?
CID 155601445 has a molecular weight of 247.09 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155601445 is sourced from PubChem (CID 155601445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).