bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane

C24H27BiO — CID 22382347

IUPACbis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane
SMILESCCc1ccccc1[Bi](c1ccccc1CC)c1ccccc1COC
InChIInChI=1S/C8H9O.2C8H9.Bi/c1-9-7-8-5-3-2-4-6-8;2*1-2-8-6-4-3-5-7-8;/h2-5H,7H2,1H3;2*3-6H,2H2,1H3;
InChIKeyGQIARYLDKAZIHP-UHFFFAOYSA-N
MW540.46 g/mol
LogP3.47
Rot. Bonds7

About bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane

bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane (PubChem CID 22382347) has the molecular formula C24H27BiO and a molecular weight of 540.46 g/mol. Its IUPAC name is bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane.

Molecular Properties

Compound Namebis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane
PubChem CID22382347
Molecular FormulaC24H27BiO
Molecular Weight540.46 g/mol
Exact Mass540.19
IUPAC Namebis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane
SMILESCCc1ccccc1[Bi](c1ccccc1CC)c1ccccc1COC
InChIInChI=1S/C8H9O.2C8H9.Bi/c1-9-7-8-5-3-2-4-6-8;2*1-2-8-6-4-3-5-7-8;/h2-5H,7H2,1H3;2*3-6H,2H2,1H3;
InChIKeyGQIARYLDKAZIHP-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(methoxymethyl)phenyl]-bis(4-methylphenyl)bismuthane
CID 22382354
[2-(ethoxymethyl)-4-methylphenyl]-bis(2-ethylphenyl)bismuthane
CID 22382330
1-ethyl-2-[2-[2-(methoxymethyl)phenyl]ethynyl]benzene
CID 139455003
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
CID 123655745
CID 123655745
1,2-diethylbenzene;hydrobromide
CID 174973685
1,2-diethylbenzene;silyloxysilane
CID 158803052
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
[2-(methoxymethyl)phenyl]azaniumylideneazanide
CID 163989337
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
1-(methoxymethyl)-2-[2-(methoxymethyl)-6-methylphenoxy]-3-methylbenzene
CID 70193365

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane?
The IUPAC name of bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane (CID 22382347) is bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane.
What is the SMILES notation for bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane?
The canonical SMILES for bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane is CCc1ccccc1[Bi](c1ccccc1CC)c1ccccc1COC.
What is the InChIKey of bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane?
The InChIKey is GQIARYLDKAZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.2C8H9.Bi/c1-9-7-8-5-3-2-4-6-8;2*1-2-8-6-4-3-5-7-8;/h2-5H,7H2,1H3;2*3-6H,2H2,1H3;.
What are the key properties of bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane?
bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane has a molecular weight of 540.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylphenyl)-[2-(methoxymethyl)phenyl]bismuthane is sourced from PubChem (CID 22382347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).