aminooxy-(2-methoxyphenyl)borinic acid

C7H10BNO3 — CID 141379819

IUPACaminooxy-(2-methoxyphenyl)borinic acid
SMILESCOc1ccccc1B(O)ON
InChIInChI=1S/C7H10BNO3/c1-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,10H,9H2,1H3
InChIKeyKYBXMKQWKZFEGR-UHFFFAOYSA-N
MW166.97 g/mol
LogP-0.73
Rot. Bonds3

About aminooxy-(2-methoxyphenyl)borinic acid

aminooxy-(2-methoxyphenyl)borinic acid (PubChem CID 141379819) has the molecular formula C7H10BNO3 and a molecular weight of 166.97 g/mol. Its IUPAC name is aminooxy-(2-methoxyphenyl)borinic acid.

Molecular Properties

Compound Nameaminooxy-(2-methoxyphenyl)borinic acid
PubChem CID141379819
Molecular FormulaC7H10BNO3
Molecular Weight166.97 g/mol
Exact Mass167.08
IUPAC Nameaminooxy-(2-methoxyphenyl)borinic acid
SMILESCOc1ccccc1B(O)ON
InChIInChI=1S/C7H10BNO3/c1-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,10H,9H2,1H3
InChIKeyKYBXMKQWKZFEGR-UHFFFAOYSA-N
XLogP-0.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of aminooxy-(2-methoxyphenyl)borinic acid?
The IUPAC name of aminooxy-(2-methoxyphenyl)borinic acid (CID 141379819) is aminooxy-(2-methoxyphenyl)borinic acid.
What is the SMILES notation for aminooxy-(2-methoxyphenyl)borinic acid?
The canonical SMILES for aminooxy-(2-methoxyphenyl)borinic acid is COc1ccccc1B(O)ON.
What is the InChIKey of aminooxy-(2-methoxyphenyl)borinic acid?
The InChIKey is KYBXMKQWKZFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO3/c1-11-7-5-3-2-4-6(7)8(10)12-9/h2-5,10H,9H2,1H3.
What are the key properties of aminooxy-(2-methoxyphenyl)borinic acid?
aminooxy-(2-methoxyphenyl)borinic acid has a molecular weight of 166.97 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-(2-methoxyphenyl)borinic acid is sourced from PubChem (CID 141379819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).