potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid

C12H15KO4S — CID 173019493

IUPACpotassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid
SMILESCc1c(S(=O)(=O)O)oc2ccc(C(C)C)cc12.[H-].[K+]
InChIInChI=1S/C12H14O4S.K.H/c1-7(2)9-4-5-11-10(6-9)8(3)12(16-11)17(13,14)15;;/h4-7H,1-3H3,(H,13,14,15);;/q;+1;-1
InChIKeyYGEIIXJCOPHCHP-UHFFFAOYSA-N
MW294.41 g/mol
LogP0.23
Rot. Bonds2

About potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid

potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid (PubChem CID 173019493) has the molecular formula C12H15KO4S and a molecular weight of 294.41 g/mol. Its IUPAC name is potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid
PubChem CID173019493
Molecular FormulaC12H15KO4S
Molecular Weight294.41 g/mol
Exact Mass294.03
IUPAC Namepotassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid
SMILESCc1c(S(=O)(=O)O)oc2ccc(C(C)C)cc12.[H-].[K+]
InChIInChI=1S/C12H14O4S.K.H/c1-7(2)9-4-5-11-10(6-9)8(3)12(16-11)17(13,14)15;;/h4-7H,1-3H3,(H,13,14,15);;/q;+1;-1
InChIKeyYGEIIXJCOPHCHP-UHFFFAOYSA-N
XLogP0.23
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2,5-di(propan-2-yl)-1-benzofuran
CID 154693825
6,16-di(propan-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149873
4-oxo-6-propan-2-ylchromene-2-carboxylic acid
CID 57348583
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
3-bromo-2,5-di(propan-2-yl)-1-benzofuran
CID 59463798
ethane;1-methyl-2-methylsulfonyl-4-propan-2-ylbenzene
CID 176666270
2-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylbutane-2-sulfonic acid
CID 172558037
ethyl 3-methyl-5-[(3-propan-2-ylphenyl)sulfonylamino]-1-benzofuran-2-carboxylate
CID 145274263
(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
CID 107668321
sodium;2,3-dimethyl-4-oxochromene-6-sulfonic acid;hydride
CID 173352072
3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 167920847
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 144612981

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid?
The IUPAC name of potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid (CID 173019493) is potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid.
What is the SMILES notation for potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid?
The canonical SMILES for potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid is Cc1c(S(=O)(=O)O)oc2ccc(C(C)C)cc12.[H-].[K+].
What is the InChIKey of potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid?
The InChIKey is YGEIIXJCOPHCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4S.K.H/c1-7(2)9-4-5-11-10(6-9)8(3)12(16-11)17(13,14)15;;/h4-7H,1-3H3,(H,13,14,15);;/q;+1;-1.
What are the key properties of potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid?
potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid has a molecular weight of 294.41 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-methyl-5-propan-2-yl-1-benzofuran-2-sulfonic acid is sourced from PubChem (CID 173019493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).