(5-chloro-2-hydroxyphenyl)boronic acid

C6H6BClO3 — CID 23005362

IUPAC(5-chloro-2-hydroxyphenyl)boronic acid
SMILESOB(O)c1cc(Cl)ccc1O
InChIInChI=1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChIKeyGGZASRFCRAZNPO-UHFFFAOYSA-N
MW172.38 g/mol
LogP-0.27
Rot. Bonds1

About (5-chloro-2-hydroxyphenyl)boronic acid

(5-chloro-2-hydroxyphenyl)boronic acid (PubChem CID 23005362) has the molecular formula C6H6BClO3 and a molecular weight of 172.38 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)boronic acid.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)boronic acid
PubChem CID23005362
Molecular FormulaC6H6BClO3
Molecular Weight172.38 g/mol
Exact Mass172.01
IUPAC Name(5-chloro-2-hydroxyphenyl)boronic acid
SMILESOB(O)c1cc(Cl)ccc1O
InChIInChI=1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChIKeyGGZASRFCRAZNPO-UHFFFAOYSA-N
XLogP-0.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-chloro-2-hydroxyphenyl)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

Related Compounds

2,4-Dichlorophenol
CID 8449
4-Chlorophenol
CID 4684
3-Chlorophenol
CID 7933
2-Chlorophenol
CID 7245
3,4-Dichlorophenol
CID 7258
3,5-Dichlorophenol
CID 11571
4-Chlorocatechol
CID 16496
4-Chlororesorcinol
CID 1731
(3-hydroxyphenyl)boronic Acid
CID 2734359
4-Hydroxyphenylboronic acid
CID 2734360
(2-Hydroxyphenyl)boronic acid
CID 2773454
2-Chloro-4-fluorophenol
CID 74814

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)boronic acid?
The IUPAC name of (5-chloro-2-hydroxyphenyl)boronic acid (CID 23005362) is (5-chloro-2-hydroxyphenyl)boronic acid.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)boronic acid?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)boronic acid is OB(O)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)boronic acid?
The InChIKey is GGZASRFCRAZNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H.
What are the key properties of (5-chloro-2-hydroxyphenyl)boronic acid?
(5-chloro-2-hydroxyphenyl)boronic acid has a molecular weight of 172.38 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)boronic acid is sourced from PubChem (CID 23005362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).