diphenylbismuthanyl acetate

C14H13BiO2 — CID 16683509

IUPACdiphenylbismuthanyl acetate
SMILESCC(=O)O[Bi](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C2H4O2.Bi/c2*1-2-4-6-5-3-1;1-2(3)4;/h2*1-5H;1H3,(H,3,4);/q;;;+1/p-1
InChIKeyGQDHGSXQYMVUJR-UHFFFAOYSA-M
MW422.24 g/mol
LogP1.36
Rot. Bonds3

About diphenylbismuthanyl acetate

diphenylbismuthanyl acetate (PubChem CID 16683509) has the molecular formula C14H13BiO2 and a molecular weight of 422.24 g/mol. Its IUPAC name is diphenylbismuthanyl acetate.

Molecular Properties

Compound Namediphenylbismuthanyl acetate
PubChem CID16683509
Molecular FormulaC14H13BiO2
Molecular Weight422.24 g/mol
Exact Mass422.07
IUPAC Namediphenylbismuthanyl acetate
SMILESCC(=O)O[Bi](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C2H4O2.Bi/c2*1-2-4-6-5-3-1;1-2(3)4;/h2*1-5H;1H3,(H,3,4);/q;;;+1/p-1
InChIKeyGQDHGSXQYMVUJR-UHFFFAOYSA-M
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenylbismuthanyl acetate?
The IUPAC name of diphenylbismuthanyl acetate (CID 16683509) is diphenylbismuthanyl acetate.
What is the SMILES notation for diphenylbismuthanyl acetate?
The canonical SMILES for diphenylbismuthanyl acetate is CC(=O)O[Bi](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylbismuthanyl acetate?
The InChIKey is GQDHGSXQYMVUJR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H5.C2H4O2.Bi/c2*1-2-4-6-5-3-1;1-2(3)4;/h2*1-5H;1H3,(H,3,4);/q;;;+1/p-1.
What are the key properties of diphenylbismuthanyl acetate?
diphenylbismuthanyl acetate has a molecular weight of 422.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylbismuthanyl acetate is sourced from PubChem (CID 16683509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).