tripotassium;phenoxybenzene;phosphate

C12H10K3O5P — CID 160692134

IUPACtripotassium;phenoxybenzene;phosphate
SMILESO=P([O-])([O-])[O-].[K+].[K+].[K+].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.3K.H3O4P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;1-5(2,3)4/h1-10H;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyRPNREKIDKKUKFT-UHFFFAOYSA-K
MW382.48 g/mol
LogP-8.33
Rot. Bonds2

About tripotassium;phenoxybenzene;phosphate

tripotassium;phenoxybenzene;phosphate (PubChem CID 160692134) has the molecular formula C12H10K3O5P and a molecular weight of 382.48 g/mol. Its IUPAC name is tripotassium;phenoxybenzene;phosphate.

Molecular Properties

Compound Nametripotassium;phenoxybenzene;phosphate
PubChem CID160692134
Molecular FormulaC12H10K3O5P
Molecular Weight382.48 g/mol
Exact Mass381.92
IUPAC Nametripotassium;phenoxybenzene;phosphate
SMILESO=P([O-])([O-])[O-].[K+].[K+].[K+].c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.3K.H3O4P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;1-5(2,3)4/h1-10H;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyRPNREKIDKKUKFT-UHFFFAOYSA-K
XLogP-8.33
TPSA95.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 5-8.33
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

potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
potassium;hydride;phenoxybenzene
CID 173391576
oxophosphanium;phenoxybenzene
CID 161329594
potassium diphenyl phosphate
CID 23671717
iron;phenoxybenzene
CID 174434720
tris(4-phenoxyphenyl) phosphate
CID 70576220
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363
cesium diphenyl phosphate
CID 23664598
hydroxy(oxo)phosphanium;phenoxybenzene
CID 162014005

Frequently Asked Questions

What is the IUPAC name of tripotassium;phenoxybenzene;phosphate?
The IUPAC name of tripotassium;phenoxybenzene;phosphate (CID 160692134) is tripotassium;phenoxybenzene;phosphate.
What is the SMILES notation for tripotassium;phenoxybenzene;phosphate?
The canonical SMILES for tripotassium;phenoxybenzene;phosphate is O=P([O-])([O-])[O-].[K+].[K+].[K+].c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of tripotassium;phenoxybenzene;phosphate?
The InChIKey is RPNREKIDKKUKFT-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H10O.3K.H3O4P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;1-5(2,3)4/h1-10H;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of tripotassium;phenoxybenzene;phosphate?
tripotassium;phenoxybenzene;phosphate has a molecular weight of 382.48 g/mol, XLogP of -8.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;phenoxybenzene;phosphate is sourced from PubChem (CID 160692134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).