[2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane

C29H37BiO — CID 22382261

IUPAC[2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane
SMILESCCCc1ccc([Bi](c2ccc(CCC)cc2)c2ccc(CCC)cc2COC)cc1
InChIInChI=1S/C11H15O.2C9H11.Bi/c1-3-5-10-6-4-7-11(8-10)9-12-2;2*1-2-6-9-7-4-3-5-8-9;/h4,6,8H,3,5,9H2,1-2H3;2*4-5,7-8H,2,6H2,1H3;
InChIKeyZMFGLZQLTVXJDH-UHFFFAOYSA-N
MW610.59 g/mol
LogP5.21
Rot. Bonds11

About [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane

[2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane (PubChem CID 22382261) has the molecular formula C29H37BiO and a molecular weight of 610.59 g/mol. Its IUPAC name is [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane.

Molecular Properties

Compound Name[2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane
PubChem CID22382261
Molecular FormulaC29H37BiO
Molecular Weight610.59 g/mol
Exact Mass610.26
IUPAC Name[2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane
SMILESCCCc1ccc([Bi](c2ccc(CCC)cc2)c2ccc(CCC)cc2COC)cc1
InChIInChI=1S/C11H15O.2C9H11.Bi/c1-3-5-10-6-4-7-11(8-10)9-12-2;2*1-2-6-9-7-4-3-5-8-9;/h4,6,8H,3,5,9H2,1-2H3;2*4-5,7-8H,2,6H2,1H3;
InChIKeyZMFGLZQLTVXJDH-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.59
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane?
The IUPAC name of [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane (CID 22382261) is [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane.
What is the SMILES notation for [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane?
The canonical SMILES for [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane is CCCc1ccc([Bi](c2ccc(CCC)cc2)c2ccc(CCC)cc2COC)cc1.
What is the InChIKey of [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane?
The InChIKey is ZMFGLZQLTVXJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O.2C9H11.Bi/c1-3-5-10-6-4-7-11(8-10)9-12-2;2*1-2-6-9-7-4-3-5-8-9;/h4,6,8H,3,5,9H2,1-2H3;2*4-5,7-8H,2,6H2,1H3;.
What are the key properties of [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane?
[2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane has a molecular weight of 610.59 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-4-propylphenyl]-bis(4-propylphenyl)bismuthane is sourced from PubChem (CID 22382261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).