potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid

C15H17KO8S2 — CID 173416926

IUPACpotassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid
SMILESCC(C)(c1ccc(O)c(S(=O)(=O)O)c1)c1ccc(O)c(S(=O)(=O)O)c1.[H-].[K+]
InChIInChI=1S/C15H16O8S2.K.H/c1-15(2,9-3-5-11(16)13(7-9)24(18,19)20)10-4-6-12(17)14(8-10)25(21,22)23;;/h3-8,16-17H,1-2H3,(H,18,19,20)(H,21,22,23);;/q;+1;-1
InChIKeyITPBPAAWNRJWFK-UHFFFAOYSA-N
MW428.53 g/mol
LogP-0.97
Rot. Bonds4

About potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid

potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid (PubChem CID 173416926) has the molecular formula C15H17KO8S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid
PubChem CID173416926
Molecular FormulaC15H17KO8S2
Molecular Weight428.53 g/mol
Exact Mass428.00
IUPAC Namepotassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid
SMILESCC(C)(c1ccc(O)c(S(=O)(=O)O)c1)c1ccc(O)c(S(=O)(=O)O)c1.[H-].[K+]
InChIInChI=1S/C15H16O8S2.K.H/c1-15(2,9-3-5-11(16)13(7-9)24(18,19)20)10-4-6-12(17)14(8-10)25(21,22)23;;/h3-8,16-17H,1-2H3,(H,18,19,20)(H,21,22,23);;/q;+1;-1
InChIKeyITPBPAAWNRJWFK-UHFFFAOYSA-N
XLogP-0.97
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
CID 14848714
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
CID 173398336
CID 173398336
2,5-dihydroxybenzenesulfonic acid;N-ethylethanamine
CID 17506
2,5-dihydroxybenzenesulfonic acid;4-methylbenzenesulfonic acid
CID 86745410
potassium;6,7-dihydroxynaphthalene-2,3-disulfonic acid;hydride
CID 173070046
2-methyl-5-(2-sulfopropan-2-yl)benzenesulfonic acid
CID 91373266
potassium;hydride;3-hydroxy-4-sulfobenzoic acid
CID 173217056
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
CID 125479229

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid?
The IUPAC name of potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid (CID 173416926) is potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid.
What is the SMILES notation for potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid?
The canonical SMILES for potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid is CC(C)(c1ccc(O)c(S(=O)(=O)O)c1)c1ccc(O)c(S(=O)(=O)O)c1.[H-].[K+].
What is the InChIKey of potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid?
The InChIKey is ITPBPAAWNRJWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O8S2.K.H/c1-15(2,9-3-5-11(16)13(7-9)24(18,19)20)10-4-6-12(17)14(8-10)25(21,22)23;;/h3-8,16-17H,1-2H3,(H,18,19,20)(H,21,22,23);;/q;+1;-1.
What are the key properties of potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid?
potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid has a molecular weight of 428.53 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-hydroxy-5-[2-(4-hydroxy-3-sulfophenyl)propan-2-yl]benzenesulfonic acid is sourced from PubChem (CID 173416926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).