chloro-bis(4-ethylphenyl)thallane

C16H18ClTl — CID 71326138

IUPACchloro-bis(4-ethylphenyl)thallane
SMILESCCc1ccc([Tl](Cl)c2ccc(CC)cc2)cc1
InChIInChI=1S/2C8H9.ClH.Tl/c2*1-2-8-6-4-3-5-7-8;;/h2*4-7H,2H2,1H3;1H;/q;;;+1/p-1
InChIKeyXEVMMKDCBPPSIH-UHFFFAOYSA-M
MW450.16 g/mol
LogP3.16
Rot. Bonds4

About chloro-bis(4-ethylphenyl)thallane

chloro-bis(4-ethylphenyl)thallane (PubChem CID 71326138) has the molecular formula C16H18ClTl and a molecular weight of 450.16 g/mol. Its IUPAC name is chloro-bis(4-ethylphenyl)thallane.

Molecular Properties

Compound Namechloro-bis(4-ethylphenyl)thallane
PubChem CID71326138
Molecular FormulaC16H18ClTl
Molecular Weight450.16 g/mol
Exact Mass450.08
IUPAC Namechloro-bis(4-ethylphenyl)thallane
SMILESCCc1ccc([Tl](Cl)c2ccc(CC)cc2)cc1
InChIInChI=1S/2C8H9.ClH.Tl/c2*1-2-8-6-4-3-5-7-8;;/h2*4-7H,2H2,1H3;1H;/q;;;+1/p-1
InChIKeyXEVMMKDCBPPSIH-UHFFFAOYSA-M
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloro-bis(4-ethylphenyl)thallane?
The IUPAC name of chloro-bis(4-ethylphenyl)thallane (CID 71326138) is chloro-bis(4-ethylphenyl)thallane.
What is the SMILES notation for chloro-bis(4-ethylphenyl)thallane?
The canonical SMILES for chloro-bis(4-ethylphenyl)thallane is CCc1ccc([Tl](Cl)c2ccc(CC)cc2)cc1.
What is the InChIKey of chloro-bis(4-ethylphenyl)thallane?
The InChIKey is XEVMMKDCBPPSIH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H9.ClH.Tl/c2*1-2-8-6-4-3-5-7-8;;/h2*4-7H,2H2,1H3;1H;/q;;;+1/p-1.
What are the key properties of chloro-bis(4-ethylphenyl)thallane?
chloro-bis(4-ethylphenyl)thallane has a molecular weight of 450.16 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(4-ethylphenyl)thallane is sourced from PubChem (CID 71326138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).