butyl(phenyl)borinic acid

C10H15BO — CID 20836008

IUPACbutyl(phenyl)borinic acid
SMILESCCCCB(O)c1ccccc1
InChIInChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
InChIKeyQZBRLXORJDJXAL-UHFFFAOYSA-N
MW162.04 g/mol
LogP1.68
Rot. Bonds4

About butyl(phenyl)borinic acid

butyl(phenyl)borinic acid (PubChem CID 20836008) has the molecular formula C10H15BO and a molecular weight of 162.04 g/mol. Its IUPAC name is butyl(phenyl)borinic acid.

Molecular Properties

Compound Namebutyl(phenyl)borinic acid
PubChem CID20836008
Molecular FormulaC10H15BO
Molecular Weight162.04 g/mol
Exact Mass162.12
IUPAC Namebutyl(phenyl)borinic acid
SMILESCCCCB(O)c1ccccc1
InChIInChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
InChIKeyQZBRLXORJDJXAL-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 51.68
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 butyl(phenyl)borinic acid?
The IUPAC name of butyl(phenyl)borinic acid (CID 20836008) is butyl(phenyl)borinic acid.
What is the SMILES notation for butyl(phenyl)borinic acid?
The canonical SMILES for butyl(phenyl)borinic acid is CCCCB(O)c1ccccc1.
What is the InChIKey of butyl(phenyl)borinic acid?
The InChIKey is QZBRLXORJDJXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3.
What are the key properties of butyl(phenyl)borinic acid?
butyl(phenyl)borinic acid has a molecular weight of 162.04 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(phenyl)borinic acid is sourced from PubChem (CID 20836008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).