potassium;sodium;benzene-1,2,3-triol;hydride;titanium

C6H8KNaO3Ti — CID 174751088

IUPACpotassium;sodium;benzene-1,2,3-triol;hydride;titanium
SMILESOc1cccc(O)c1O.[H-].[H-].[K+].[Na+].[Ti]
InChIInChI=1S/C6H6O3.K.Na.Ti.2H/c7-4-2-1-3-5(8)6(4)9;;;;;/h1-3,7-9H;;;;;/q;2*+1;;2*-1
InChIKeyBGWGACBUTHYANY-UHFFFAOYSA-N
MW238.08 g/mol
LogP-4.97
Rot. Bonds

About potassium;sodium;benzene-1,2,3-triol;hydride;titanium

potassium;sodium;benzene-1,2,3-triol;hydride;titanium (PubChem CID 174751088) has the molecular formula C6H8KNaO3Ti and a molecular weight of 238.08 g/mol. Its IUPAC name is potassium;sodium;benzene-1,2,3-triol;hydride;titanium.

Molecular Properties

Compound Namepotassium;sodium;benzene-1,2,3-triol;hydride;titanium
PubChem CID174751088
Molecular FormulaC6H8KNaO3Ti
Molecular Weight238.08 g/mol
Exact Mass237.95
IUPAC Namepotassium;sodium;benzene-1,2,3-triol;hydride;titanium
SMILESOc1cccc(O)c1O.[H-].[H-].[K+].[Na+].[Ti]
InChIInChI=1S/C6H6O3.K.Na.Ti.2H/c7-4-2-1-3-5(8)6(4)9;;;;;/h1-3,7-9H;;;;;/q;2*+1;;2*-1
InChIKeyBGWGACBUTHYANY-UHFFFAOYSA-N
XLogP-4.97
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 5-4.97
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'}

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Related Compounds

benzene-1,2,3-triol
CID 87074018
benzene-1,2,3-triol;bismuthane
CID 174447840
benzene-1,2,3-triol;naphthalene
CID 157155506
benzene-1,2,3-triol;sulfuric acid
CID 121350878
benzene-1,2,3-triol;1,2-xylene
CID 175355365
benzene-1,2-diol;bis(benzene-1,3-diol);benzene-1,2,3-triol
CID 160586828
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760
benzene-1,2,3-triol;[3,5-bis(hydroxymethyl)phenyl]methanol
CID 175357247
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
CID 59253869
3-methylbenzene-1,2-diol
CID 135381405
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724
3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol
CID 87861807

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;benzene-1,2,3-triol;hydride;titanium?
The IUPAC name of potassium;sodium;benzene-1,2,3-triol;hydride;titanium (CID 174751088) is potassium;sodium;benzene-1,2,3-triol;hydride;titanium.
What is the SMILES notation for potassium;sodium;benzene-1,2,3-triol;hydride;titanium?
The canonical SMILES for potassium;sodium;benzene-1,2,3-triol;hydride;titanium is Oc1cccc(O)c1O.[H-].[H-].[K+].[Na+].[Ti].
What is the InChIKey of potassium;sodium;benzene-1,2,3-triol;hydride;titanium?
The InChIKey is BGWGACBUTHYANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.K.Na.Ti.2H/c7-4-2-1-3-5(8)6(4)9;;;;;/h1-3,7-9H;;;;;/q;2*+1;;2*-1.
What are the key properties of potassium;sodium;benzene-1,2,3-triol;hydride;titanium?
potassium;sodium;benzene-1,2,3-triol;hydride;titanium has a molecular weight of 238.08 g/mol, XLogP of -4.97, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;benzene-1,2,3-triol;hydride;titanium is sourced from PubChem (CID 174751088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).