(4-butylphenyl)boronic acid

C10H15BO2 — CID 4100860

IUPAC(4-butylphenyl)boronic acid
SMILESCCCCc1ccc(B(O)O)cc1
InChIInChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3
InChIKeyUGZUUTHZEATQAM-UHFFFAOYSA-N
MW178.04 g/mol
LogP0.71
Rot. Bonds4

About (4-butylphenyl)boronic acid

(4-butylphenyl)boronic acid (PubChem CID 4100860) has the molecular formula C10H15BO2 and a molecular weight of 178.04 g/mol. Its IUPAC name is (4-butylphenyl)boronic acid.

Molecular Properties

Compound Name(4-butylphenyl)boronic acid
PubChem CID4100860
Molecular FormulaC10H15BO2
Molecular Weight178.04 g/mol
Exact Mass178.12
IUPAC Name(4-butylphenyl)boronic acid
SMILESCCCCc1ccc(B(O)O)cc1
InChIInChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3
InChIKeyUGZUUTHZEATQAM-UHFFFAOYSA-N
XLogP0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-butylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)boronic acid?
The IUPAC name of (4-butylphenyl)boronic acid (CID 4100860) is (4-butylphenyl)boronic acid.
What is the SMILES notation for (4-butylphenyl)boronic acid?
The canonical SMILES for (4-butylphenyl)boronic acid is CCCCc1ccc(B(O)O)cc1.
What is the InChIKey of (4-butylphenyl)boronic acid?
The InChIKey is UGZUUTHZEATQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3.
What are the key properties of (4-butylphenyl)boronic acid?
(4-butylphenyl)boronic acid has a molecular weight of 178.04 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)boronic acid is sourced from PubChem (CID 4100860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).