6-methoxy-1H-naphthalen-1-ide;thorium

C11H9OTh2- — CID 20700698

IUPAC6-methoxy-1H-naphthalen-1-ide;thorium
SMILESCOc1ccc2[c-]cccc2c1.[Th].[Th]
InChIInChI=1S/C11H9O.2Th/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;;/h2-3,5-8H,1H3;;/q-1;;
InChIKeyOZQMCDISEBIPMW-UHFFFAOYSA-N
MW621.27 g/mol
LogP2.65
Rot. Bonds1

About 6-methoxy-1H-naphthalen-1-ide;thorium

6-methoxy-1H-naphthalen-1-ide;thorium (PubChem CID 20700698) has the molecular formula C11H9OTh2- and a molecular weight of 621.27 g/mol. Its IUPAC name is 6-methoxy-1H-naphthalen-1-ide;thorium.

Molecular Properties

Compound Name6-methoxy-1H-naphthalen-1-ide;thorium
PubChem CID20700698
Molecular FormulaC11H9OTh2-
Molecular Weight621.27 g/mol
Exact Mass621.14
IUPAC Name6-methoxy-1H-naphthalen-1-ide;thorium
SMILESCOc1ccc2[c-]cccc2c1.[Th].[Th]
InChIInChI=1S/C11H9O.2Th/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;;/h2-3,5-8H,1H3;;/q-1;;
InChIKeyOZQMCDISEBIPMW-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-naphthalen-1-ide;thorium?
The IUPAC name of 6-methoxy-1H-naphthalen-1-ide;thorium (CID 20700698) is 6-methoxy-1H-naphthalen-1-ide;thorium.
What is the SMILES notation for 6-methoxy-1H-naphthalen-1-ide;thorium?
The canonical SMILES for 6-methoxy-1H-naphthalen-1-ide;thorium is COc1ccc2[c-]cccc2c1.[Th].[Th].
What is the InChIKey of 6-methoxy-1H-naphthalen-1-ide;thorium?
The InChIKey is OZQMCDISEBIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O.2Th/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;;/h2-3,5-8H,1H3;;/q-1;;.
What are the key properties of 6-methoxy-1H-naphthalen-1-ide;thorium?
6-methoxy-1H-naphthalen-1-ide;thorium has a molecular weight of 621.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-naphthalen-1-ide;thorium is sourced from PubChem (CID 20700698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).