2,4-dibromo-6-(bromomethyl)phenol

C7H5Br3O — CID 622177

IUPAC2,4-dibromo-6-(bromomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1CBr
InChIInChI=1S/C7H5Br3O/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2,11H,3H2
InChIKeySPUZPJKEJXIRSF-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.81
Rot. Bonds1

About 2,4-dibromo-6-(bromomethyl)phenol

2,4-dibromo-6-(bromomethyl)phenol (PubChem CID 622177) has the molecular formula C7H5Br3O and a molecular weight of 344.83 g/mol. Its IUPAC name is 2,4-dibromo-6-(bromomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(bromomethyl)phenol
PubChem CID622177
Molecular FormulaC7H5Br3O
Molecular Weight344.83 g/mol
Exact Mass341.79
IUPAC Name2,4-dibromo-6-(bromomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1CBr
InChIInChI=1S/C7H5Br3O/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2,11H,3H2
InChIKeySPUZPJKEJXIRSF-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-(bromomethyl)phenol 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 2,4-dibromo-6-(bromomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(bromomethyl)phenol (CID 622177) is 2,4-dibromo-6-(bromomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(bromomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(bromomethyl)phenol is Oc1c(Br)cc(Br)cc1CBr.
What is the InChIKey of 2,4-dibromo-6-(bromomethyl)phenol?
The InChIKey is SPUZPJKEJXIRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3O/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2,11H,3H2.
What are the key properties of 2,4-dibromo-6-(bromomethyl)phenol?
2,4-dibromo-6-(bromomethyl)phenol has a molecular weight of 344.83 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(bromomethyl)phenol is sourced from PubChem (CID 622177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).