(4-ethylphenyl)boronic acid

C8H11BO2 — CID 2734352

IUPAC(4-ethylphenyl)boronic acid
SMILESCCc1ccc(B(O)O)cc1
InChIInChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKeyRZCPLOMUUCFPQA-UHFFFAOYSA-N
MW149.99 g/mol
LogP-0.07
Rot. Bonds2

About (4-ethylphenyl)boronic acid

(4-ethylphenyl)boronic acid (PubChem CID 2734352) has the molecular formula C8H11BO2 and a molecular weight of 149.99 g/mol. Its IUPAC name is (4-ethylphenyl)boronic acid.

Molecular Properties

Compound Name(4-ethylphenyl)boronic acid
PubChem CID2734352
Molecular FormulaC8H11BO2
Molecular Weight149.99 g/mol
Exact Mass150.09
IUPAC Name(4-ethylphenyl)boronic acid
SMILESCCc1ccc(B(O)O)cc1
InChIInChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3
InChIKeyRZCPLOMUUCFPQA-UHFFFAOYSA-N
XLogP-0.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.99
LogP ≤ 5-0.07
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 (4-ethylphenyl)boronic acid?
The IUPAC name of (4-ethylphenyl)boronic acid (CID 2734352) is (4-ethylphenyl)boronic acid.
What is the SMILES notation for (4-ethylphenyl)boronic acid?
The canonical SMILES for (4-ethylphenyl)boronic acid is CCc1ccc(B(O)O)cc1.
What is the InChIKey of (4-ethylphenyl)boronic acid?
The InChIKey is RZCPLOMUUCFPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6,10-11H,2H2,1H3.
What are the key properties of (4-ethylphenyl)boronic acid?
(4-ethylphenyl)boronic acid has a molecular weight of 149.99 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)boronic acid is sourced from PubChem (CID 2734352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).