chloro-bis(4-methoxyphenyl)thallane

C14H14ClO2Tl — CID 71364298

IUPACchloro-bis(4-methoxyphenyl)thallane
SMILESCOc1ccc([Tl](Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/2C7H7O.ClH.Tl/c2*1-8-7-5-3-2-4-6-7;;/h2*3-6H,1H3;1H;/q;;;+1/p-1
InChIKeyRZFNAMSHZLQWED-UHFFFAOYSA-M
MW454.10 g/mol
LogP2.05
Rot. Bonds4

About chloro-bis(4-methoxyphenyl)thallane

chloro-bis(4-methoxyphenyl)thallane (PubChem CID 71364298) has the molecular formula C14H14ClO2Tl and a molecular weight of 454.10 g/mol. Its IUPAC name is chloro-bis(4-methoxyphenyl)thallane.

Molecular Properties

Compound Namechloro-bis(4-methoxyphenyl)thallane
PubChem CID71364298
Molecular FormulaC14H14ClO2Tl
Molecular Weight454.10 g/mol
Exact Mass454.04
IUPAC Namechloro-bis(4-methoxyphenyl)thallane
SMILESCOc1ccc([Tl](Cl)c2ccc(OC)cc2)cc1
InChIInChI=1S/2C7H7O.ClH.Tl/c2*1-8-7-5-3-2-4-6-7;;/h2*3-6H,1H3;1H;/q;;;+1/p-1
InChIKeyRZFNAMSHZLQWED-UHFFFAOYSA-M
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.10
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
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1-(113C)methoxy-4-methylbenzene
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(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
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bis(4-methoxyphenyl)iodanium;hydrobromide
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(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
dichloro-bis(4-methoxyphenyl)silane
CID 15847326
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
trichloro-(4-methoxyphenyl)silane
CID 13219757
chloro-(4-methoxyphenyl)-methylphosphane
CID 18780199
CID 154175564
CID 154175564
(4-methoxyphenyl)silane
CID 100998160

Frequently Asked Questions

What is the IUPAC name of chloro-bis(4-methoxyphenyl)thallane?
The IUPAC name of chloro-bis(4-methoxyphenyl)thallane (CID 71364298) is chloro-bis(4-methoxyphenyl)thallane.
What is the SMILES notation for chloro-bis(4-methoxyphenyl)thallane?
The canonical SMILES for chloro-bis(4-methoxyphenyl)thallane is COc1ccc([Tl](Cl)c2ccc(OC)cc2)cc1.
What is the InChIKey of chloro-bis(4-methoxyphenyl)thallane?
The InChIKey is RZFNAMSHZLQWED-UHFFFAOYSA-M. The full InChI is InChI=1S/2C7H7O.ClH.Tl/c2*1-8-7-5-3-2-4-6-7;;/h2*3-6H,1H3;1H;/q;;;+1/p-1.
What are the key properties of chloro-bis(4-methoxyphenyl)thallane?
chloro-bis(4-methoxyphenyl)thallane has a molecular weight of 454.10 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(4-methoxyphenyl)thallane is sourced from PubChem (CID 71364298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).