aminooxy-(2,4-diethylphenyl)borinic acid

C10H16BNO2 — CID 68784398

IUPACaminooxy-(2,4-diethylphenyl)borinic acid
SMILESCCc1ccc(B(O)ON)c(CC)c1
InChIInChI=1S/C10H16BNO2/c1-3-8-5-6-10(11(13)14-12)9(4-2)7-8/h5-7,13H,3-4,12H2,1-2H3
InChIKeyOGMRCCRPIQTXET-UHFFFAOYSA-N
MW193.06 g/mol
LogP0.39
Rot. Bonds4

About aminooxy-(2,4-diethylphenyl)borinic acid

aminooxy-(2,4-diethylphenyl)borinic acid (PubChem CID 68784398) has the molecular formula C10H16BNO2 and a molecular weight of 193.06 g/mol. Its IUPAC name is aminooxy-(2,4-diethylphenyl)borinic acid.

Molecular Properties

Compound Nameaminooxy-(2,4-diethylphenyl)borinic acid
PubChem CID68784398
Molecular FormulaC10H16BNO2
Molecular Weight193.06 g/mol
Exact Mass193.13
IUPAC Nameaminooxy-(2,4-diethylphenyl)borinic acid
SMILESCCc1ccc(B(O)ON)c(CC)c1
InChIInChI=1S/C10H16BNO2/c1-3-8-5-6-10(11(13)14-12)9(4-2)7-8/h5-7,13H,3-4,12H2,1-2H3
InChIKeyOGMRCCRPIQTXET-UHFFFAOYSA-N
XLogP0.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-ethyl-4-(hydroxymethyl)phenyl]boronic acid
CID 175955829
(2,4-diethylphenyl)methanol
CID 21414896
(5-ethyl-2-hydroxyphenyl)boronic acid
CID 18617035
4-(2,4-diethylphenyl)-6-ethylbenzene-1,3-diol
CID 101302857
O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
CID 130051996
2-(2,5-diethylphenyl)ethanamine
CID 117277667
ethyl 2,4,6-triethylbenzoate
CID 12702183
(2-ethyl-4-fluorophenyl)boronic acid
CID 90206315
[4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 18510202
5-ethyl-2-methoxybenzoic acid
CID 20721149
1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
CID 139601632
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529

Frequently Asked Questions

What is the IUPAC name of aminooxy-(2,4-diethylphenyl)borinic acid?
The IUPAC name of aminooxy-(2,4-diethylphenyl)borinic acid (CID 68784398) is aminooxy-(2,4-diethylphenyl)borinic acid.
What is the SMILES notation for aminooxy-(2,4-diethylphenyl)borinic acid?
The canonical SMILES for aminooxy-(2,4-diethylphenyl)borinic acid is CCc1ccc(B(O)ON)c(CC)c1.
What is the InChIKey of aminooxy-(2,4-diethylphenyl)borinic acid?
The InChIKey is OGMRCCRPIQTXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2/c1-3-8-5-6-10(11(13)14-12)9(4-2)7-8/h5-7,13H,3-4,12H2,1-2H3.
What are the key properties of aminooxy-(2,4-diethylphenyl)borinic acid?
aminooxy-(2,4-diethylphenyl)borinic acid has a molecular weight of 193.06 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-(2,4-diethylphenyl)borinic acid is sourced from PubChem (CID 68784398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).