CID 22173195

C8H8BO2 — CID 22173195

IUPAC—
SMILESO[B]O.c1cc2ccc1cc2
InChIInChI=1S/C8H6.BH2O2/c1-2-8-5-3-7(1)4-6-8;2-1-3/h1-6H;2-3H
InChIKeyHKONAAOLJDDWKU-UHFFFAOYSA-N
MW146.96 g/mol
LogP0.78
Rot. Bonds

About CID 22173195

CID 22173195 (PubChem CID 22173195) has the molecular formula C8H8BO2 and a molecular weight of 146.96 g/mol.

Molecular Properties

Compound NameCID 22173195
PubChem CID22173195
Molecular FormulaC8H8BO2
Molecular Weight146.96 g/mol
Exact Mass147.06
IUPAC Name—
SMILESO[B]O.c1cc2ccc1cc2
InChIInChI=1S/C8H6.BH2O2/c1-2-8-5-3-7(1)4-6-8;2-1-3/h1-6H;2-3H
InChIKeyHKONAAOLJDDWKU-UHFFFAOYSA-N
XLogP0.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.96
LogP ≤ 50.78
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 CID 22173195?
The IUPAC name of CID 22173195 (CID 22173195) is not available.
What is the SMILES notation for CID 22173195?
The canonical SMILES for CID 22173195 is O[B]O.c1cc2ccc1cc2.
What is the InChIKey of CID 22173195?
The InChIKey is HKONAAOLJDDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.BH2O2/c1-2-8-5-3-7(1)4-6-8;2-1-3/h1-6H;2-3H.
What are the key properties of CID 22173195?
CID 22173195 has a molecular weight of 146.96 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22173195 is sourced from PubChem (CID 22173195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).