aminooxy-(2,6-dibenzoylphenyl)borinic acid

C20H16BNO4 — CID 68783876

IUPACaminooxy-(2,6-dibenzoylphenyl)borinic acid
SMILESNOB(O)c1c(C(=O)c2ccccc2)cccc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BNO4/c22-26-21(25)18-16(19(23)14-8-3-1-4-9-14)12-7-13-17(18)20(24)15-10-5-2-6-11-15/h1-13,25H,22H2
InChIKeyWIDQGGNHPGQJKA-UHFFFAOYSA-N
MW345.16 g/mol
LogP1.73
Rot. Bonds6

About aminooxy-(2,6-dibenzoylphenyl)borinic acid

aminooxy-(2,6-dibenzoylphenyl)borinic acid (PubChem CID 68783876) has the molecular formula C20H16BNO4 and a molecular weight of 345.16 g/mol. Its IUPAC name is aminooxy-(2,6-dibenzoylphenyl)borinic acid.

Molecular Properties

Compound Nameaminooxy-(2,6-dibenzoylphenyl)borinic acid
PubChem CID68783876
Molecular FormulaC20H16BNO4
Molecular Weight345.16 g/mol
Exact Mass345.12
IUPAC Nameaminooxy-(2,6-dibenzoylphenyl)borinic acid
SMILESNOB(O)c1c(C(=O)c2ccccc2)cccc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BNO4/c22-26-21(25)18-16(19(23)14-8-3-1-4-9-14)12-7-13-17(18)20(24)15-10-5-2-6-11-15/h1-13,25H,22H2
InChIKeyWIDQGGNHPGQJKA-UHFFFAOYSA-N
XLogP1.73
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

aminooxy-(2,4-dibenzoylphenyl)borinic acid
CID 68788292
amino 2-benzoylbenzoate
CID 19737509
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
2,3-dibenzoylbenzaldehyde
CID 54496315
(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
CID 141384650
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
(2-amino-3-benzoylphenyl) thiohypobromite
CID 155200120

Frequently Asked Questions

What is the IUPAC name of aminooxy-(2,6-dibenzoylphenyl)borinic acid?
The IUPAC name of aminooxy-(2,6-dibenzoylphenyl)borinic acid (CID 68783876) is aminooxy-(2,6-dibenzoylphenyl)borinic acid.
What is the SMILES notation for aminooxy-(2,6-dibenzoylphenyl)borinic acid?
The canonical SMILES for aminooxy-(2,6-dibenzoylphenyl)borinic acid is NOB(O)c1c(C(=O)c2ccccc2)cccc1C(=O)c1ccccc1.
What is the InChIKey of aminooxy-(2,6-dibenzoylphenyl)borinic acid?
The InChIKey is WIDQGGNHPGQJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BNO4/c22-26-21(25)18-16(19(23)14-8-3-1-4-9-14)12-7-13-17(18)20(24)15-10-5-2-6-11-15/h1-13,25H,22H2.
What are the key properties of aminooxy-(2,6-dibenzoylphenyl)borinic acid?
aminooxy-(2,6-dibenzoylphenyl)borinic acid has a molecular weight of 345.16 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-(2,6-dibenzoylphenyl)borinic acid is sourced from PubChem (CID 68783876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).