tris(2-methoxyphenyl)bismuthane

C21H21BiO3 — CID 2734045

IUPACtris(2-methoxyphenyl)bismuthane
SMILESCOc1ccccc1[Bi](c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/3C7H7O.Bi/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKeyVFWRGMGLLNCHIA-UHFFFAOYSA-N
MW530.38 g/mol
LogP2.23
Rot. Bonds6

About tris(2-methoxyphenyl)bismuthane

tris(2-methoxyphenyl)bismuthane (PubChem CID 2734045) has the molecular formula C21H21BiO3 and a molecular weight of 530.38 g/mol. Its IUPAC name is tris(2-methoxyphenyl)bismuthane.

Molecular Properties

Compound Nametris(2-methoxyphenyl)bismuthane
PubChem CID2734045
Molecular FormulaC21H21BiO3
Molecular Weight530.38 g/mol
Exact Mass530.13
IUPAC Nametris(2-methoxyphenyl)bismuthane
SMILESCOc1ccccc1[Bi](c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/3C7H7O.Bi/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKeyVFWRGMGLLNCHIA-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(2-methoxyphenyl)bismuthane?
The IUPAC name of tris(2-methoxyphenyl)bismuthane (CID 2734045) is tris(2-methoxyphenyl)bismuthane.
What is the SMILES notation for tris(2-methoxyphenyl)bismuthane?
The canonical SMILES for tris(2-methoxyphenyl)bismuthane is COc1ccccc1[Bi](c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of tris(2-methoxyphenyl)bismuthane?
The InChIKey is VFWRGMGLLNCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7O.Bi/c3*1-8-7-5-3-2-4-6-7;/h3*2-5H,1H3;.
What are the key properties of tris(2-methoxyphenyl)bismuthane?
tris(2-methoxyphenyl)bismuthane has a molecular weight of 530.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyphenyl)bismuthane is sourced from PubChem (CID 2734045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).