phenoxybismuthane

C6H7BiO — CID 172997794

IUPACphenoxybismuthane
SMILES[BiH2]Oc1ccccc1
InChIInChI=1S/C6H6O.Bi.2H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;;/q;+1;;/p-1
InChIKeyNAZGBRVKBUDRNK-UHFFFAOYSA-M
MW304.10 g/mol
LogP0.61
Rot. Bonds1

About phenoxybismuthane

phenoxybismuthane (PubChem CID 172997794) has the molecular formula C6H7BiO and a molecular weight of 304.10 g/mol. Its IUPAC name is phenoxybismuthane.

Molecular Properties

Compound Namephenoxybismuthane
PubChem CID172997794
Molecular FormulaC6H7BiO
Molecular Weight304.10 g/mol
Exact Mass304.03
IUPAC Namephenoxybismuthane
SMILES[BiH2]Oc1ccccc1
InChIInChI=1S/C6H6O.Bi.2H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;;/q;+1;;/p-1
InChIKeyNAZGBRVKBUDRNK-UHFFFAOYSA-M
XLogP0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenoxybismuthane?
The IUPAC name of phenoxybismuthane (CID 172997794) is phenoxybismuthane.
What is the SMILES notation for phenoxybismuthane?
The canonical SMILES for phenoxybismuthane is [BiH2]Oc1ccccc1.
What is the InChIKey of phenoxybismuthane?
The InChIKey is NAZGBRVKBUDRNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.Bi.2H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;;/q;+1;;/p-1.
What are the key properties of phenoxybismuthane?
phenoxybismuthane has a molecular weight of 304.10 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxybismuthane is sourced from PubChem (CID 172997794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).