potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide

C26H22KO5P — CID 159149047

IUPACpotassium;3-carboxybenzoate;triphenylphosphanium;hydroxide
SMILESO=C([O-])c1cccc(C(=O)O)c1.[K+].[OH-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H6O4.K.H2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7(10)5-2-1-3-6(4-5)8(11)12;;/h1-15H;1-4H,(H,9,10)(H,11,12);;1H2/q;;+1;/p-1
InChIKeyKJAXCUSIUSXASW-UHFFFAOYSA-M
MW484.53 g/mol
LogP-0.25
Rot. Bonds5

About potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide

potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide (PubChem CID 159149047) has the molecular formula C26H22KO5P and a molecular weight of 484.53 g/mol. Its IUPAC name is potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide.

Molecular Properties

Compound Namepotassium;3-carboxybenzoate;triphenylphosphanium;hydroxide
PubChem CID159149047
Molecular FormulaC26H22KO5P
Molecular Weight484.53 g/mol
Exact Mass484.08
IUPAC Namepotassium;3-carboxybenzoate;triphenylphosphanium;hydroxide
SMILESO=C([O-])c1cccc(C(=O)O)c1.[K+].[OH-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C8H6O4.K.H2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7(10)5-2-1-3-6(4-5)8(11)12;;/h1-15H;1-4H,(H,9,10)(H,11,12);;1H2/q;;+1;/p-1
InChIKeyKJAXCUSIUSXASW-UHFFFAOYSA-M
XLogP-0.25
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 140685957
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CID 88500443
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benzene-1,3-dicarboxylate;bis(tetraphenylphosphanium)
CID 20544407
CID 175726263
CID 175726263
cerium(3+) tribenzoate
CID 6452877
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
3-carboxybenzoate;pyridin-1-ium-2-amine
CID 139145655

Frequently Asked Questions

What is the IUPAC name of potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide?
The IUPAC name of potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide (CID 159149047) is potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide.
What is the SMILES notation for potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide?
The canonical SMILES for potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide is O=C([O-])c1cccc(C(=O)O)c1.[K+].[OH-].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide?
The InChIKey is KJAXCUSIUSXASW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C8H6O4.K.H2O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7(10)5-2-1-3-6(4-5)8(11)12;;/h1-15H;1-4H,(H,9,10)(H,11,12);;1H2/q;;+1;/p-1.
What are the key properties of potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide?
potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide has a molecular weight of 484.53 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-carboxybenzoate;triphenylphosphanium;hydroxide is sourced from PubChem (CID 159149047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).