dipotassium;(4-methylphenoxy)-dioxidoborane

C7H7BK2O3 — CID 159840403

IUPACdipotassium;(4-methylphenoxy)-dioxidoborane
SMILESCc1ccc(OB([O-])[O-])cc1.[K+].[K+]
InChIInChI=1S/C7H7BO3.2K/c1-6-2-4-7(5-3-6)11-8(9)10;;/h2-5H,1H3;;/q-2;2*+1
InChIKeyNOPIZDCCCZGEND-UHFFFAOYSA-N
MW228.14 g/mol
LogP-6.91
Rot. Bonds2

About dipotassium;(4-methylphenoxy)-dioxidoborane

dipotassium;(4-methylphenoxy)-dioxidoborane (PubChem CID 159840403) has the molecular formula C7H7BK2O3 and a molecular weight of 228.14 g/mol. Its IUPAC name is dipotassium;(4-methylphenoxy)-dioxidoborane.

Molecular Properties

Compound Namedipotassium;(4-methylphenoxy)-dioxidoborane
PubChem CID159840403
Molecular FormulaC7H7BK2O3
Molecular Weight228.14 g/mol
Exact Mass227.98
IUPAC Namedipotassium;(4-methylphenoxy)-dioxidoborane
SMILESCc1ccc(OB([O-])[O-])cc1.[K+].[K+]
InChIInChI=1S/C7H7BO3.2K/c1-6-2-4-7(5-3-6)11-8(9)10;;/h2-5H,1H3;;/q-2;2*+1
InChIKeyNOPIZDCCCZGEND-UHFFFAOYSA-N
XLogP-6.91
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 5-6.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-methylphenolate
CID 23676568
dioxido(phenoxy)borane;bis(tetramethylazanium)
CID 70151362
bis(4-methylphenyl) carbonate;ethane
CID 145416039
potassium;hydride;1,4-xylene
CID 173420414
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
[4-(4-methylphenoxy)phenyl]azanium
CID 142074955
1-isocyanooxy-4-methylbenzene
CID 20637469
(4-methylphenyl)-dioxidoborane
CID 18427408
phosphane;tris(4-methylphenyl) phosphite
CID 174494653
aluminum tris(4-methylphenolate)
CID 19704458
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185

Frequently Asked Questions

What is the IUPAC name of dipotassium;(4-methylphenoxy)-dioxidoborane?
The IUPAC name of dipotassium;(4-methylphenoxy)-dioxidoborane (CID 159840403) is dipotassium;(4-methylphenoxy)-dioxidoborane.
What is the SMILES notation for dipotassium;(4-methylphenoxy)-dioxidoborane?
The canonical SMILES for dipotassium;(4-methylphenoxy)-dioxidoborane is Cc1ccc(OB([O-])[O-])cc1.[K+].[K+].
What is the InChIKey of dipotassium;(4-methylphenoxy)-dioxidoborane?
The InChIKey is NOPIZDCCCZGEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO3.2K/c1-6-2-4-7(5-3-6)11-8(9)10;;/h2-5H,1H3;;/q-2;2*+1.
What are the key properties of dipotassium;(4-methylphenoxy)-dioxidoborane?
dipotassium;(4-methylphenoxy)-dioxidoborane has a molecular weight of 228.14 g/mol, XLogP of -6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(4-methylphenoxy)-dioxidoborane is sourced from PubChem (CID 159840403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).