3-(2-tritioethynyl)phenol;tris(yttrium)

C8H6OY3 — CID 59072997

IUPAC3-(2-tritioethynyl)phenol;tris(yttrium)
SMILES[3H]C#Cc1cccc(O)c1.[Y].[Y].[Y]
InChIInChI=1S/C8H6O.3Y/c1-2-7-4-3-5-8(9)6-7;;;/h1,3-6,9H;;;/i1T;;;
InChIKeyZZDMJMSSCCCPEB-CWPDLPROSA-N
MW386.86 g/mol
LogP1.37
Rot. Bonds

About 3-(2-tritioethynyl)phenol;tris(yttrium)

3-(2-tritioethynyl)phenol;tris(yttrium) (PubChem CID 59072997) has the molecular formula C8H6OY3 and a molecular weight of 386.86 g/mol. Its IUPAC name is 3-(2-tritioethynyl)phenol;tris(yttrium).

Molecular Properties

Compound Name3-(2-tritioethynyl)phenol;tris(yttrium)
PubChem CID59072997
Molecular FormulaC8H6OY3
Molecular Weight386.86 g/mol
Exact Mass386.77
IUPAC Name3-(2-tritioethynyl)phenol;tris(yttrium)
SMILES[3H]C#Cc1cccc(O)c1.[Y].[Y].[Y]
InChIInChI=1S/C8H6O.3Y/c1-2-7-4-3-5-8(9)6-7;;;/h1,3-6,9H;;;/i1T;;;
InChIKeyZZDMJMSSCCCPEB-CWPDLPROSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tritioethynyl)phenol;tris(yttrium)?
The IUPAC name of 3-(2-tritioethynyl)phenol;tris(yttrium) (CID 59072997) is 3-(2-tritioethynyl)phenol;tris(yttrium).
What is the SMILES notation for 3-(2-tritioethynyl)phenol;tris(yttrium)?
The canonical SMILES for 3-(2-tritioethynyl)phenol;tris(yttrium) is [3H]C#Cc1cccc(O)c1.[Y].[Y].[Y].
What is the InChIKey of 3-(2-tritioethynyl)phenol;tris(yttrium)?
The InChIKey is ZZDMJMSSCCCPEB-CWPDLPROSA-N. The full InChI is InChI=1S/C8H6O.3Y/c1-2-7-4-3-5-8(9)6-7;;;/h1,3-6,9H;;;/i1T;;;.
What are the key properties of 3-(2-tritioethynyl)phenol;tris(yttrium)?
3-(2-tritioethynyl)phenol;tris(yttrium) has a molecular weight of 386.86 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tritioethynyl)phenol;tris(yttrium) is sourced from PubChem (CID 59072997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).