aminooxy-(2,4-dibenzoylphenyl)borinic acid

C20H16BNO4 — CID 68788292

IUPACaminooxy-(2,4-dibenzoylphenyl)borinic acid
SMILESNOB(O)c1ccc(C(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BNO4/c22-26-21(25)18-12-11-16(19(23)14-7-3-1-4-8-14)13-17(18)20(24)15-9-5-2-6-10-15/h1-13,25H,22H2
InChIKeyVNMBLRVXIFSVOS-UHFFFAOYSA-N
MW345.16 g/mol
LogP1.73
Rot. Bonds6

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

aminooxy-(2,4-dibenzoylphenyl)borinic acid (PubChem CID 68788292) has the molecular formula C20H16BNO4 and a molecular weight of 345.16 g/mol. Its IUPAC name is aminooxy-(2,4-dibenzoylphenyl)borinic acid.

Molecular Properties

Compound Nameaminooxy-(2,4-dibenzoylphenyl)borinic acid
PubChem CID68788292
Molecular FormulaC20H16BNO4
Molecular Weight345.16 g/mol
Exact Mass345.12
IUPAC Nameaminooxy-(2,4-dibenzoylphenyl)borinic acid
SMILESNOB(O)c1ccc(C(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16BNO4/c22-26-21(25)18-12-11-16(19(23)14-7-3-1-4-8-14)13-17(18)20(24)15-9-5-2-6-10-15/h1-13,25H,22H2
InChIKeyVNMBLRVXIFSVOS-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'}

Analyze aminooxy-(2,4-dibenzoylphenyl)borinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aminooxy-(2,6-dibenzoylphenyl)borinic acid
CID 68783876
4-benzoylphthalic acid;bis(carbon dioxide)
CID 159894307
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
diphenylmethanone
CID 3102
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of aminooxy-(2,4-dibenzoylphenyl)borinic acid?
The IUPAC name of aminooxy-(2,4-dibenzoylphenyl)borinic acid (CID 68788292) is aminooxy-(2,4-dibenzoylphenyl)borinic acid.
What is the SMILES notation for aminooxy-(2,4-dibenzoylphenyl)borinic acid?
The canonical SMILES for aminooxy-(2,4-dibenzoylphenyl)borinic acid is NOB(O)c1ccc(C(=O)c2ccccc2)cc1C(=O)c1ccccc1.
What is the InChIKey of aminooxy-(2,4-dibenzoylphenyl)borinic acid?
The InChIKey is VNMBLRVXIFSVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BNO4/c22-26-21(25)18-12-11-16(19(23)14-7-3-1-4-8-14)13-17(18)20(24)15-9-5-2-6-10-15/h1-13,25H,22H2.
What are the key properties of aminooxy-(2,4-dibenzoylphenyl)borinic acid?
aminooxy-(2,4-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-(2,4-dibenzoylphenyl)borinic acid is sourced from PubChem (CID 68788292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).