dipotassium;(4-methoxyphenyl)-dioxidoborane

C7H7BK2O3 — CID 163211684

IUPACdipotassium;(4-methoxyphenyl)-dioxidoborane
SMILESCOc1ccc(B([O-])[O-])cc1.[K+].[K+]
InChIInChI=1S/C7H7BO3.2K/c1-11-7-4-2-6(3-5-7)8(9)10;;/h2-5H,1H3;;/q-2;2*+1
InChIKeySRTZTKSAAZATIL-UHFFFAOYSA-N
MW228.14 g/mol
LogP-7.88
Rot. Bonds2

About dipotassium;(4-methoxyphenyl)-dioxidoborane

dipotassium;(4-methoxyphenyl)-dioxidoborane (PubChem CID 163211684) has the molecular formula C7H7BK2O3 and a molecular weight of 228.14 g/mol. Its IUPAC name is dipotassium;(4-methoxyphenyl)-dioxidoborane.

Molecular Properties

Compound Namedipotassium;(4-methoxyphenyl)-dioxidoborane
PubChem CID163211684
Molecular FormulaC7H7BK2O3
Molecular Weight228.14 g/mol
Exact Mass227.98
IUPAC Namedipotassium;(4-methoxyphenyl)-dioxidoborane
SMILESCOc1ccc(B([O-])[O-])cc1.[K+].[K+]
InChIInChI=1S/C7H7BO3.2K/c1-11-7-4-2-6(3-5-7)8(9)10;;/h2-5H,1H3;;/q-2;2*+1
InChIKeySRTZTKSAAZATIL-UHFFFAOYSA-N
XLogP-7.88
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 ≤ 5-7.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;(4-methoxyphenyl)-dioxidoborane?
The IUPAC name of dipotassium;(4-methoxyphenyl)-dioxidoborane (CID 163211684) is dipotassium;(4-methoxyphenyl)-dioxidoborane.
What is the SMILES notation for dipotassium;(4-methoxyphenyl)-dioxidoborane?
The canonical SMILES for dipotassium;(4-methoxyphenyl)-dioxidoborane is COc1ccc(B([O-])[O-])cc1.[K+].[K+].
What is the InChIKey of dipotassium;(4-methoxyphenyl)-dioxidoborane?
The InChIKey is SRTZTKSAAZATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO3.2K/c1-11-7-4-2-6(3-5-7)8(9)10;;/h2-5H,1H3;;/q-2;2*+1.
What are the key properties of dipotassium;(4-methoxyphenyl)-dioxidoborane?
dipotassium;(4-methoxyphenyl)-dioxidoborane has a molecular weight of 228.14 g/mol, XLogP of -7.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(4-methoxyphenyl)-dioxidoborane is sourced from PubChem (CID 163211684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).