diiodovanadium;ethane;phenol

C8H12I2OV — CID 158503861

IUPACdiiodovanadium;ethane;phenol
SMILESCC.I[V]I.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H6.2HI.V/c7-6-4-2-1-3-5-6;1-2;;;/h1-5,7H;1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyHKFQXEXKSWCIBO-UHFFFAOYSA-L
MW428.94 g/mol
LogP4.19
Rot. Bonds

About diiodovanadium;ethane;phenol

diiodovanadium;ethane;phenol (PubChem CID 158503861) has the molecular formula C8H12I2OV and a molecular weight of 428.94 g/mol. Its IUPAC name is diiodovanadium;ethane;phenol.

Molecular Properties

Compound Namediiodovanadium;ethane;phenol
PubChem CID158503861
Molecular FormulaC8H12I2OV
Molecular Weight428.94 g/mol
Exact Mass428.84
IUPAC Namediiodovanadium;ethane;phenol
SMILESCC.I[V]I.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H6.2HI.V/c7-6-4-2-1-3-5-6;1-2;;;/h1-5,7H;1-2H3;2*1H;/q;;;;+2/p-2
InChIKeyHKFQXEXKSWCIBO-UHFFFAOYSA-L
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;ethane;phenol?
The IUPAC name of diiodovanadium;ethane;phenol (CID 158503861) is diiodovanadium;ethane;phenol.
What is the SMILES notation for diiodovanadium;ethane;phenol?
The canonical SMILES for diiodovanadium;ethane;phenol is CC.I[V]I.Oc1ccccc1.
What is the InChIKey of diiodovanadium;ethane;phenol?
The InChIKey is HKFQXEXKSWCIBO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O.C2H6.2HI.V/c7-6-4-2-1-3-5-6;1-2;;;/h1-5,7H;1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of diiodovanadium;ethane;phenol?
diiodovanadium;ethane;phenol has a molecular weight of 428.94 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;ethane;phenol is sourced from PubChem (CID 158503861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).