potassium (4-methyl-2-oxochromen-7-yl) sulfate

C10H7KO6S — CID 5044226

IUPACpotassium (4-methyl-2-oxochromen-7-yl) sulfate
SMILESCc1cc(=O)oc2cc(OS(=O)(=O)[O-])ccc12.[K+]
InChIInChI=1S/C10H8O6S.K/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;/h2-5H,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyCSOCSPXOODWGLJ-UHFFFAOYSA-M
MW294.32 g/mol
LogP-2.06
Rot. Bonds2

About potassium (4-methyl-2-oxochromen-7-yl) sulfate

potassium (4-methyl-2-oxochromen-7-yl) sulfate (PubChem CID 5044226) has the molecular formula C10H7KO6S and a molecular weight of 294.32 g/mol. Its IUPAC name is potassium (4-methyl-2-oxochromen-7-yl) sulfate.

Molecular Properties

Compound Namepotassium (4-methyl-2-oxochromen-7-yl) sulfate
PubChem CID5044226
Molecular FormulaC10H7KO6S
Molecular Weight294.32 g/mol
Exact Mass293.96
IUPAC Namepotassium (4-methyl-2-oxochromen-7-yl) sulfate
SMILESCc1cc(=O)oc2cc(OS(=O)(=O)[O-])ccc12.[K+]
InChIInChI=1S/C10H8O6S.K/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;/h2-5H,1H3,(H,12,13,14);/q;+1/p-1
InChIKeyCSOCSPXOODWGLJ-UHFFFAOYSA-M
XLogP-2.06
TPSA96.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
(4-methyl-2-oxochromen-7-yl) trifluoromethanesulfonate
CID 59776431
potassium (2-oxochromen-7-yl) sulfate
CID 46781774
(4-methyl-2-oxochromen-7-yl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate
CID 7510280
sodium bis(4-methyl-2-oxochromen-7-yl) phosphate
CID 23674452
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-(5-methyl-2-oxocyclohexyl)oxychromen-2-one
CID 10708344
7-dihydroxyphosphinothioyloxy-4-methylchromen-2-one
CID 87105987
(4-methyl-2-oxochromen-7-yl) 3,4-dihydronaphthalene-2-sulfonate
CID 18190635
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508

Frequently Asked Questions

What is the IUPAC name of potassium (4-methyl-2-oxochromen-7-yl) sulfate?
The IUPAC name of potassium (4-methyl-2-oxochromen-7-yl) sulfate (CID 5044226) is potassium (4-methyl-2-oxochromen-7-yl) sulfate.
What is the SMILES notation for potassium (4-methyl-2-oxochromen-7-yl) sulfate?
The canonical SMILES for potassium (4-methyl-2-oxochromen-7-yl) sulfate is Cc1cc(=O)oc2cc(OS(=O)(=O)[O-])ccc12.[K+].
What is the InChIKey of potassium (4-methyl-2-oxochromen-7-yl) sulfate?
The InChIKey is CSOCSPXOODWGLJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O6S.K/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;/h2-5H,1H3,(H,12,13,14);/q;+1/p-1.
What are the key properties of potassium (4-methyl-2-oxochromen-7-yl) sulfate?
potassium (4-methyl-2-oxochromen-7-yl) sulfate has a molecular weight of 294.32 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-methyl-2-oxochromen-7-yl) sulfate is sourced from PubChem (CID 5044226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).