potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid

C7H9KO5S — CID 175242674

IUPACpotassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid
SMILESCOc1c(O)cccc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H8O5S.K.H/c1-12-7-5(8)3-2-4-6(7)13(9,10)11;;/h2-4,8H,1H3,(H,9,10,11);;/q;+1;-1
InChIKeyKAVCNVWVIDQENC-UHFFFAOYSA-N
MW244.31 g/mol
LogP-2.24
Rot. Bonds2

About potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid

potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid (PubChem CID 175242674) has the molecular formula C7H9KO5S and a molecular weight of 244.31 g/mol. Its IUPAC name is potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid
PubChem CID175242674
Molecular FormulaC7H9KO5S
Molecular Weight244.31 g/mol
Exact Mass243.98
IUPAC Namepotassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid
SMILESCOc1c(O)cccc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H8O5S.K.H/c1-12-7-5(8)3-2-4-6(7)13(9,10)11;;/h2-4,8H,1H3,(H,9,10,11);;/q;+1;-1
InChIKeyKAVCNVWVIDQENC-UHFFFAOYSA-N
XLogP-2.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybenzenesulfonic acid;3-hydroxy-2-methoxybenzenesulfonic acid
CID 87858666
3-bromo-2-methoxybenzenesulfonic acid
CID 174958366
sodium 3-hydroxy-2-methoxybenzenesulfonate
CID 88685653
ethane;2-methoxy-3-methoxycarbonylbenzenesulfonic acid
CID 175529964
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
2-hydroxy-3-methoxy-4-methylbenzenesulfonic acid
CID 21026705

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid?
The IUPAC name of potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid (CID 175242674) is potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid.
What is the SMILES notation for potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid?
The canonical SMILES for potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid is COc1c(O)cccc1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid?
The InChIKey is KAVCNVWVIDQENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5S.K.H/c1-12-7-5(8)3-2-4-6(7)13(9,10)11;;/h2-4,8H,1H3,(H,9,10,11);;/q;+1;-1.
What are the key properties of potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid?
potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid has a molecular weight of 244.31 g/mol, XLogP of -2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid is sourced from PubChem (CID 175242674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).