(2,3,5-trihydroxyphenyl)thallium

C6H5O3Tl — CID 163974788

IUPAC(2,3,5-trihydroxyphenyl)thallium
SMILESOc1cc(O)c(O)c([Tl])c1
InChIInChI=1S/C6H5O3.Tl/c7-4-1-2-5(8)6(9)3-4;/h1,3,7-9H;
InChIKeySTDYMOJCUUYIPX-UHFFFAOYSA-N
MW329.49 g/mol
LogP-0.40
Rot. Bonds

About (2,3,5-trihydroxyphenyl)thallium

(2,3,5-trihydroxyphenyl)thallium (PubChem CID 163974788) has the molecular formula C6H5O3Tl and a molecular weight of 329.49 g/mol. Its IUPAC name is (2,3,5-trihydroxyphenyl)thallium.

Molecular Properties

Compound Name(2,3,5-trihydroxyphenyl)thallium
PubChem CID163974788
Molecular FormulaC6H5O3Tl
Molecular Weight329.49 g/mol
Exact Mass330.00
IUPAC Name(2,3,5-trihydroxyphenyl)thallium
SMILESOc1cc(O)c(O)c([Tl])c1
InChIInChI=1S/C6H5O3.Tl/c7-4-1-2-5(8)6(9)3-4;/h1,3,7-9H;
InChIKeySTDYMOJCUUYIPX-UHFFFAOYSA-N
XLogP-0.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,5-trihydroxyphenyl)thallium?
The IUPAC name of (2,3,5-trihydroxyphenyl)thallium (CID 163974788) is (2,3,5-trihydroxyphenyl)thallium.
What is the SMILES notation for (2,3,5-trihydroxyphenyl)thallium?
The canonical SMILES for (2,3,5-trihydroxyphenyl)thallium is Oc1cc(O)c(O)c([Tl])c1.
What is the InChIKey of (2,3,5-trihydroxyphenyl)thallium?
The InChIKey is STDYMOJCUUYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O3.Tl/c7-4-1-2-5(8)6(9)3-4;/h1,3,7-9H;.
What are the key properties of (2,3,5-trihydroxyphenyl)thallium?
(2,3,5-trihydroxyphenyl)thallium has a molecular weight of 329.49 g/mol, XLogP of -0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trihydroxyphenyl)thallium is sourced from PubChem (CID 163974788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).