potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide

C6H7BrKNaO5S — CID 158157386

IUPACpotassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
SMILESO=S([O-])O.Oc1ccc(O)cc1.[Br-].[K+].[Na+]
InChIInChI=1S/C6H6O2.BrH.K.Na.H2O3S/c7-5-1-2-6(8)4-3-5;;;;1-4(2)3/h1-4,7-8H;1H;;;(H2,1,2,3)/q;;2*+1;/p-2
InChIKeyFVVXYYUMGVSSAL-UHFFFAOYSA-L
MW333.18 g/mol
LogP-8.55
Rot. Bonds

About potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide

potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide (PubChem CID 158157386) has the molecular formula C6H7BrKNaO5S and a molecular weight of 333.18 g/mol. Its IUPAC name is potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide.

Molecular Properties

Compound Namepotassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
PubChem CID158157386
Molecular FormulaC6H7BrKNaO5S
Molecular Weight333.18 g/mol
Exact Mass331.87
IUPAC Namepotassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide
SMILESO=S([O-])O.Oc1ccc(O)cc1.[Br-].[K+].[Na+]
InChIInChI=1S/C6H6O2.BrH.K.Na.H2O3S/c7-5-1-2-6(8)4-3-5;;;;1-4(2)3/h1-4,7-8H;1H;;;(H2,1,2,3)/q;;2*+1;/p-2
InChIKeyFVVXYYUMGVSSAL-UHFFFAOYSA-L
XLogP-8.55
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 5-8.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Phenol sulfate
CID 74426
Sodium phenoxide
CID 66602278
Phenol-d6
CID 123295
Potassium phenyl sulfate
CID 23678854
1,4-Benzenediol, 2,6-diiodo-
CID 74775
Phenol, reaction products with hydrogen peroxide, distn. residues
CID 175673
Phen-d5-ol
CID 12205419
2-Iodo-1,4-benzenediol
CID 89965
2-Fluorobenzene-1,4-diol
CID 581766
Phenol-OD
CID 12205409

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
The IUPAC name of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide (CID 158157386) is potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide.
What is the SMILES notation for potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
The canonical SMILES for potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide is O=S([O-])O.Oc1ccc(O)cc1.[Br-].[K+].[Na+].
What is the InChIKey of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
The InChIKey is FVVXYYUMGVSSAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O2.BrH.K.Na.H2O3S/c7-5-1-2-6(8)4-3-5;;;;1-4(2)3/h1-4,7-8H;1H;;;(H2,1,2,3)/q;;2*+1;/p-2.
What are the key properties of potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide?
potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide has a molecular weight of 333.18 g/mol, XLogP of -8.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;benzene-1,4-diol;hydrogen sulfite;bromide is sourced from PubChem (CID 158157386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).