[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane

C26H31BiO — CID 22382330

IUPAC[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane
SMILESCCOCc1cc(C)ccc1[Bi](c1ccccc1CC)c1ccccc1CC
InChIInChI=1S/C10H13O.2C8H9.Bi/c1-3-11-8-10-6-4-5-9(2)7-10;2*1-2-8-6-4-3-5-7-8;/h4-5,7H,3,8H2,1-2H3;2*3-6H,2H2,1H3;
InChIKeyZDCBPFTWFODGAF-UHFFFAOYSA-N
MW568.51 g/mol
LogP4.17
Rot. Bonds8

About [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane

[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane (PubChem CID 22382330) has the molecular formula C26H31BiO and a molecular weight of 568.51 g/mol. Its IUPAC name is [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane.

Molecular Properties

Compound Name[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane
PubChem CID22382330
Molecular FormulaC26H31BiO
Molecular Weight568.51 g/mol
Exact Mass568.22
IUPAC Name[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane
SMILESCCOCc1cc(C)ccc1[Bi](c1ccccc1CC)c1ccccc1CC
InChIInChI=1S/C10H13O.2C8H9.Bi/c1-3-11-8-10-6-4-5-9(2)7-10;2*1-2-8-6-4-3-5-7-8;/h4-5,7H,3,8H2,1-2H3;2*3-6H,2H2,1H3;
InChIKeyZDCBPFTWFODGAF-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane?
The IUPAC name of [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane (CID 22382330) is [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane.
What is the SMILES notation for [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane?
The canonical SMILES for [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane is CCOCc1cc(C)ccc1[Bi](c1ccccc1CC)c1ccccc1CC.
What is the InChIKey of [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane?
The InChIKey is ZDCBPFTWFODGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O.2C8H9.Bi/c1-3-11-8-10-6-4-5-9(2)7-10;2*1-2-8-6-4-3-5-7-8;/h4-5,7H,3,8H2,1-2H3;2*3-6H,2H2,1H3;.
What are the key properties of [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane?
[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane has a molecular weight of 568.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane is sourced from PubChem (CID 22382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).