CID 123764762

C9H11BO — CID 123764762

IUPAC—
SMILES[B]C(CO)C1=CC=CC=CC1
InChIInChI=1S/C9H11BO/c10-9(7-11)8-5-3-1-2-4-6-8/h1-5,9,11H,6-7H2
InChIKeyVIGRRQJBZGDALZ-UHFFFAOYSA-N
MW146.00 g/mol
LogP1.38
Rot. Bonds2

About CID 123764762

CID 123764762 (PubChem CID 123764762) has the molecular formula C9H11BO and a molecular weight of 146.00 g/mol.

Molecular Properties

Compound NameCID 123764762
PubChem CID123764762
Molecular FormulaC9H11BO
Molecular Weight146.00 g/mol
Exact Mass146.09
IUPAC Name—
SMILES[B]C(CO)C1=CC=CC=CC1
InChIInChI=1S/C9H11BO/c10-9(7-11)8-5-3-1-2-4-6-8/h1-5,9,11H,6-7H2
InChIKeyVIGRRQJBZGDALZ-UHFFFAOYSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 123764762?
The IUPAC name of CID 123764762 (CID 123764762) is not available.
What is the SMILES notation for CID 123764762?
The canonical SMILES for CID 123764762 is [B]C(CO)C1=CC=CC=CC1.
What is the InChIKey of CID 123764762?
The InChIKey is VIGRRQJBZGDALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO/c10-9(7-11)8-5-3-1-2-4-6-8/h1-5,9,11H,6-7H2.
What are the key properties of CID 123764762?
CID 123764762 has a molecular weight of 146.00 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123764762 is sourced from PubChem (CID 123764762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).