benzene-1,2-diol;ruthenium

C6H6O2Ru — CID 175866633

IUPACbenzene-1,2-diol;ruthenium
SMILESOc1ccccc1O.[Ru]
InChIInChI=1S/C6H6O2.Ru/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;
InChIKeyWJFKCFHQYLTNNP-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.10
Rot. Bonds

About benzene-1,2-diol;ruthenium

benzene-1,2-diol;ruthenium (PubChem CID 175866633) has the molecular formula C6H6O2Ru and a molecular weight of 211.18 g/mol. Its IUPAC name is benzene-1,2-diol;ruthenium.

Molecular Properties

Compound Namebenzene-1,2-diol;ruthenium
PubChem CID175866633
Molecular FormulaC6H6O2Ru
Molecular Weight211.18 g/mol
Exact Mass211.94
IUPAC Namebenzene-1,2-diol;ruthenium
SMILESOc1ccccc1O.[Ru]
InChIInChI=1S/C6H6O2.Ru/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;
InChIKeyWJFKCFHQYLTNNP-UHFFFAOYSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis(benzene-1,2-diol);methane
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CID 6393025
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CID 175605209
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
benzene-1,2-diol;cyclohexane
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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;ruthenium?
The IUPAC name of benzene-1,2-diol;ruthenium (CID 175866633) is benzene-1,2-diol;ruthenium.
What is the SMILES notation for benzene-1,2-diol;ruthenium?
The canonical SMILES for benzene-1,2-diol;ruthenium is Oc1ccccc1O.[Ru].
What is the InChIKey of benzene-1,2-diol;ruthenium?
The InChIKey is WJFKCFHQYLTNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.Ru/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;.
What are the key properties of benzene-1,2-diol;ruthenium?
benzene-1,2-diol;ruthenium has a molecular weight of 211.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;ruthenium is sourced from PubChem (CID 175866633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).