2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide

C15H14BNO3 — CID 155542297

IUPAC2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide
SMILESCc1ccc2c(c1-c1ccccc1C(N)=O)B(O)OC2
InChIInChI=1S/C15H14BNO3/c1-9-6-7-10-8-20-16(19)14(10)13(9)11-4-2-3-5-12(11)15(17)18/h2-7,19H,8H2,1H3,(H2,17,18)
InChIKeyGLOMMDACWVGJQT-UHFFFAOYSA-N
MW267.09 g/mol
LogP0.98
Rot. Bonds2

About 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide

2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide (PubChem CID 155542297) has the molecular formula C15H14BNO3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide.

Molecular Properties

Compound Name2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide
PubChem CID155542297
Molecular FormulaC15H14BNO3
Molecular Weight267.09 g/mol
Exact Mass267.11
IUPAC Name2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide
SMILESCc1ccc2c(c1-c1ccccc1C(N)=O)B(O)OC2
InChIInChI=1S/C15H14BNO3/c1-9-6-7-10-8-20-16(19)14(10)13(9)11-4-2-3-5-12(11)15(17)18/h2-7,19H,8H2,1H3,(H2,17,18)
InChIKeyGLOMMDACWVGJQT-UHFFFAOYSA-N
XLogP0.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide?
The IUPAC name of 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide (CID 155542297) is 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide.
What is the SMILES notation for 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide?
The canonical SMILES for 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide is Cc1ccc2c(c1-c1ccccc1C(N)=O)B(O)OC2.
What is the InChIKey of 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide?
The InChIKey is GLOMMDACWVGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BNO3/c1-9-6-7-10-8-20-16(19)14(10)13(9)11-4-2-3-5-12(11)15(17)18/h2-7,19H,8H2,1H3,(H2,17,18).
What are the key properties of 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide?
2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide has a molecular weight of 267.09 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-methyl-3H-2,1-benzoxaborol-7-yl)benzamide is sourced from PubChem (CID 155542297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).