2,5-dibromo-4-chlorophenol

C6H3Br2ClO — CID 84813839

IUPAC2,5-dibromo-4-chlorophenol
SMILESOc1cc(Br)c(Cl)cc1Br
InChIInChI=1S/C6H3Br2ClO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H
InChIKeyLXKOBHAEYJOKIF-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.57
Rot. Bonds

About 2,5-dibromo-4-chlorophenol

2,5-dibromo-4-chlorophenol (PubChem CID 84813839) has the molecular formula C6H3Br2ClO and a molecular weight of 286.35 g/mol. Its IUPAC name is 2,5-dibromo-4-chlorophenol.

Molecular Properties

Compound Name2,5-dibromo-4-chlorophenol
PubChem CID84813839
Molecular FormulaC6H3Br2ClO
Molecular Weight286.35 g/mol
Exact Mass283.82
IUPAC Name2,5-dibromo-4-chlorophenol
SMILESOc1cc(Br)c(Cl)cc1Br
InChIInChI=1S/C6H3Br2ClO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H
InChIKeyLXKOBHAEYJOKIF-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,5-dibromo-4-chlorophenol 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 2,5-dibromo-4-chlorophenol?
The IUPAC name of 2,5-dibromo-4-chlorophenol (CID 84813839) is 2,5-dibromo-4-chlorophenol.
What is the SMILES notation for 2,5-dibromo-4-chlorophenol?
The canonical SMILES for 2,5-dibromo-4-chlorophenol is Oc1cc(Br)c(Cl)cc1Br.
What is the InChIKey of 2,5-dibromo-4-chlorophenol?
The InChIKey is LXKOBHAEYJOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H.
What are the key properties of 2,5-dibromo-4-chlorophenol?
2,5-dibromo-4-chlorophenol has a molecular weight of 286.35 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-chlorophenol is sourced from PubChem (CID 84813839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).