potassium;tris(4-methylphenyl) phosphate;hydroxide

C21H22KO5P — CID 174496858

IUPACpotassium;tris(4-methylphenyl) phosphate;hydroxide
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[K+].[OH-]
InChIInChI=1S/C21H21O4P.K.H2O/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H2/q;+1;/p-1
InChIKeyAGMATASWCBLDBG-UHFFFAOYSA-M
MW424.47 g/mol
LogP3.08
Rot. Bonds6

About potassium;tris(4-methylphenyl) phosphate;hydroxide

potassium;tris(4-methylphenyl) phosphate;hydroxide (PubChem CID 174496858) has the molecular formula C21H22KO5P and a molecular weight of 424.47 g/mol. Its IUPAC name is potassium;tris(4-methylphenyl) phosphate;hydroxide.

Molecular Properties

Compound Namepotassium;tris(4-methylphenyl) phosphate;hydroxide
PubChem CID174496858
Molecular FormulaC21H22KO5P
Molecular Weight424.47 g/mol
Exact Mass424.08
IUPAC Namepotassium;tris(4-methylphenyl) phosphate;hydroxide
SMILESCc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[K+].[OH-]
InChIInChI=1S/C21H21O4P.K.H2O/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H2/q;+1;/p-1
InChIKeyAGMATASWCBLDBG-UHFFFAOYSA-M
XLogP3.08
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 67928069
CID 67928069
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magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
isocyanic acid;tris(4-methylphenyl) phosphate
CID 174832408
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
anthracene-9,10-dione;tris(4-methylphenyl) phosphate
CID 175314566
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838

Frequently Asked Questions

What is the IUPAC name of potassium;tris(4-methylphenyl) phosphate;hydroxide?
The IUPAC name of potassium;tris(4-methylphenyl) phosphate;hydroxide (CID 174496858) is potassium;tris(4-methylphenyl) phosphate;hydroxide.
What is the SMILES notation for potassium;tris(4-methylphenyl) phosphate;hydroxide?
The canonical SMILES for potassium;tris(4-methylphenyl) phosphate;hydroxide is Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.[K+].[OH-].
What is the InChIKey of potassium;tris(4-methylphenyl) phosphate;hydroxide?
The InChIKey is AGMATASWCBLDBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21O4P.K.H2O/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H2/q;+1;/p-1.
What are the key properties of potassium;tris(4-methylphenyl) phosphate;hydroxide?
potassium;tris(4-methylphenyl) phosphate;hydroxide has a molecular weight of 424.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tris(4-methylphenyl) phosphate;hydroxide is sourced from PubChem (CID 174496858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).