(3-chloro-4-ethoxyphenyl)boronic acid

C8H10BClO3 — CID 3717658

IUPAC(3-chloro-4-ethoxyphenyl)boronic acid
SMILESCCOc1ccc(B(O)O)cc1Cl
InChIInChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
InChIKeyQZMQZKMQXURQNC-UHFFFAOYSA-N
MW200.43 g/mol
LogP0.42
Rot. Bonds3

About (3-chloro-4-ethoxyphenyl)boronic acid

(3-chloro-4-ethoxyphenyl)boronic acid (PubChem CID 3717658) has the molecular formula C8H10BClO3 and a molecular weight of 200.43 g/mol. Its IUPAC name is (3-chloro-4-ethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-chloro-4-ethoxyphenyl)boronic acid
PubChem CID3717658
Molecular FormulaC8H10BClO3
Molecular Weight200.43 g/mol
Exact Mass200.04
IUPAC Name(3-chloro-4-ethoxyphenyl)boronic acid
SMILESCCOc1ccc(B(O)O)cc1Cl
InChIInChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
InChIKeyQZMQZKMQXURQNC-UHFFFAOYSA-N
XLogP0.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.43
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-chloro-4-ethoxyphenyl)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 (3-chloro-4-ethoxyphenyl)boronic acid?
The IUPAC name of (3-chloro-4-ethoxyphenyl)boronic acid (CID 3717658) is (3-chloro-4-ethoxyphenyl)boronic acid.
What is the SMILES notation for (3-chloro-4-ethoxyphenyl)boronic acid?
The canonical SMILES for (3-chloro-4-ethoxyphenyl)boronic acid is CCOc1ccc(B(O)O)cc1Cl.
What is the InChIKey of (3-chloro-4-ethoxyphenyl)boronic acid?
The InChIKey is QZMQZKMQXURQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3.
What are the key properties of (3-chloro-4-ethoxyphenyl)boronic acid?
(3-chloro-4-ethoxyphenyl)boronic acid has a molecular weight of 200.43 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-ethoxyphenyl)boronic acid is sourced from PubChem (CID 3717658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).