anisole;diiodozinc

C7H8I2OZn — CID 174569089

IUPACanisole;diiodozinc
SMILESCOc1ccccc1.I[Zn]I
InChIInChI=1S/C7H8O.2HI.Zn/c1-8-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;/q;;;+2/p-2
InChIKeyMVDVJLOIYVTYFI-UHFFFAOYSA-L
MW427.34 g/mol
LogP3.46
Rot. Bonds1

About anisole;diiodozinc

anisole;diiodozinc (PubChem CID 174569089) has the molecular formula C7H8I2OZn and a molecular weight of 427.34 g/mol. Its IUPAC name is anisole;diiodozinc.

Molecular Properties

Compound Nameanisole;diiodozinc
PubChem CID174569089
Molecular FormulaC7H8I2OZn
Molecular Weight427.34 g/mol
Exact Mass425.80
IUPAC Nameanisole;diiodozinc
SMILESCOc1ccccc1.I[Zn]I
InChIInChI=1S/C7H8O.2HI.Zn/c1-8-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;/q;;;+2/p-2
InChIKeyMVDVJLOIYVTYFI-UHFFFAOYSA-L
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
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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Related Compounds

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anisole;ethane;methane;2-methylpropane
CID 159356491
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Frequently Asked Questions

What is the IUPAC name of anisole;diiodozinc?
The IUPAC name of anisole;diiodozinc (CID 174569089) is anisole;diiodozinc.
What is the SMILES notation for anisole;diiodozinc?
The canonical SMILES for anisole;diiodozinc is COc1ccccc1.I[Zn]I.
What is the InChIKey of anisole;diiodozinc?
The InChIKey is MVDVJLOIYVTYFI-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8O.2HI.Zn/c1-8-7-5-3-2-4-6-7;;;/h2-6H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of anisole;diiodozinc?
anisole;diiodozinc has a molecular weight of 427.34 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;diiodozinc is sourced from PubChem (CID 174569089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).