aminooxy-(3-methylphenyl)borinic acid

C7H10BNO2 — CID 174117625

IUPACaminooxy-(3-methylphenyl)borinic acid
SMILESCc1cccc(B(O)ON)c1
InChIInChI=1S/C7H10BNO2/c1-6-3-2-4-7(5-6)8(10)11-9/h2-5,10H,9H2,1H3
InChIKeyWXWANZZQSVETPC-UHFFFAOYSA-N
MW150.97 g/mol
LogP-0.43
Rot. Bonds2

About aminooxy-(3-methylphenyl)borinic acid

aminooxy-(3-methylphenyl)borinic acid (PubChem CID 174117625) has the molecular formula C7H10BNO2 and a molecular weight of 150.97 g/mol. Its IUPAC name is aminooxy-(3-methylphenyl)borinic acid.

Molecular Properties

Compound Nameaminooxy-(3-methylphenyl)borinic acid
PubChem CID174117625
Molecular FormulaC7H10BNO2
Molecular Weight150.97 g/mol
Exact Mass151.08
IUPAC Nameaminooxy-(3-methylphenyl)borinic acid
SMILESCc1cccc(B(O)ON)c1
InChIInChI=1S/C7H10BNO2/c1-6-3-2-4-7(5-6)8(10)11-9/h2-5,10H,9H2,1H3
InChIKeyWXWANZZQSVETPC-UHFFFAOYSA-N
XLogP-0.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 5-0.43
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

fluorooxy-(3-methylphenyl)borinic acid
CID 141302935
(3-methylphenyl)-diphenylborane
CID 145125944
dichloro-(3-methylphenyl)borane
CID 134904379
ethoxy-bis(3-methylphenyl)borane
CID 141274428
ethane;methanol;1,3-xylene
CID 156743127
methane;1,3-xylene;1,4-xylene
CID 161051420
ethane;1,3-xylene;1,4-xylene
CID 145425556
boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
CID 158144841
phosphane;tris(1,3-xylene)
CID 67351774
ethane;1,3-xylene
CID 54570178
argon;1,3-xylene
CID 161468194
uranium;1,3-xylene
CID 142096795

Frequently Asked Questions

What is the IUPAC name of aminooxy-(3-methylphenyl)borinic acid?
The IUPAC name of aminooxy-(3-methylphenyl)borinic acid (CID 174117625) is aminooxy-(3-methylphenyl)borinic acid.
What is the SMILES notation for aminooxy-(3-methylphenyl)borinic acid?
The canonical SMILES for aminooxy-(3-methylphenyl)borinic acid is Cc1cccc(B(O)ON)c1.
What is the InChIKey of aminooxy-(3-methylphenyl)borinic acid?
The InChIKey is WXWANZZQSVETPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO2/c1-6-3-2-4-7(5-6)8(10)11-9/h2-5,10H,9H2,1H3.
What are the key properties of aminooxy-(3-methylphenyl)borinic acid?
aminooxy-(3-methylphenyl)borinic acid has a molecular weight of 150.97 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-(3-methylphenyl)borinic acid is sourced from PubChem (CID 174117625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).