1H-inden-2-ylboronic acid

C9H9BO2 — CID 10942739

IUPAC1H-inden-2-ylboronic acid
SMILESOB(O)C1=Cc2ccccc2C1
InChIInChI=1S/C9H9BO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5,11-12H,6H2
InChIKeyVBMIZCKXRRAXBK-UHFFFAOYSA-N
MW159.98 g/mol
LogP0.64
Rot. Bonds1

About 1H-inden-2-ylboronic acid

1H-inden-2-ylboronic acid (PubChem CID 10942739) has the molecular formula C9H9BO2 and a molecular weight of 159.98 g/mol. Its IUPAC name is 1H-inden-2-ylboronic acid.

Molecular Properties

Compound Name1H-inden-2-ylboronic acid
PubChem CID10942739
Molecular FormulaC9H9BO2
Molecular Weight159.98 g/mol
Exact Mass160.07
IUPAC Name1H-inden-2-ylboronic acid
SMILESOB(O)C1=Cc2ccccc2C1
InChIInChI=1S/C9H9BO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5,11-12H,6H2
InChIKeyVBMIZCKXRRAXBK-UHFFFAOYSA-N
XLogP0.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.98
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1H-inden-2-ylboronic acid?
The IUPAC name of 1H-inden-2-ylboronic acid (CID 10942739) is 1H-inden-2-ylboronic acid.
What is the SMILES notation for 1H-inden-2-ylboronic acid?
The canonical SMILES for 1H-inden-2-ylboronic acid is OB(O)C1=Cc2ccccc2C1.
What is the InChIKey of 1H-inden-2-ylboronic acid?
The InChIKey is VBMIZCKXRRAXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5,11-12H,6H2.
What are the key properties of 1H-inden-2-ylboronic acid?
1H-inden-2-ylboronic acid has a molecular weight of 159.98 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-ylboronic acid is sourced from PubChem (CID 10942739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).