2-bromo-4-(2,2-dibromoethenyl)phenol

C8H5Br3O — CID 87569925

IUPAC2-bromo-4-(2,2-dibromoethenyl)phenol
SMILESOc1ccc(C=C(Br)Br)cc1Br
InChIInChI=1S/C8H5Br3O/c9-6-3-5(4-8(10)11)1-2-7(6)12/h1-4,12H
InChIKeyOXRGQUDCXQKLFG-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.24
Rot. Bonds1

About 2-bromo-4-(2,2-dibromoethenyl)phenol

2-bromo-4-(2,2-dibromoethenyl)phenol (PubChem CID 87569925) has the molecular formula C8H5Br3O and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-bromo-4-(2,2-dibromoethenyl)phenol.

Molecular Properties

Compound Name2-bromo-4-(2,2-dibromoethenyl)phenol
PubChem CID87569925
Molecular FormulaC8H5Br3O
Molecular Weight356.84 g/mol
Exact Mass353.79
IUPAC Name2-bromo-4-(2,2-dibromoethenyl)phenol
SMILESOc1ccc(C=C(Br)Br)cc1Br
InChIInChI=1S/C8H5Br3O/c9-6-3-5(4-8(10)11)1-2-7(6)12/h1-4,12H
InChIKeyOXRGQUDCXQKLFG-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-(2,2-dibromoethenyl)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-bromo-4-(2,2-dibromoethenyl)phenol?
The IUPAC name of 2-bromo-4-(2,2-dibromoethenyl)phenol (CID 87569925) is 2-bromo-4-(2,2-dibromoethenyl)phenol.
What is the SMILES notation for 2-bromo-4-(2,2-dibromoethenyl)phenol?
The canonical SMILES for 2-bromo-4-(2,2-dibromoethenyl)phenol is Oc1ccc(C=C(Br)Br)cc1Br.
What is the InChIKey of 2-bromo-4-(2,2-dibromoethenyl)phenol?
The InChIKey is OXRGQUDCXQKLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3O/c9-6-3-5(4-8(10)11)1-2-7(6)12/h1-4,12H.
What are the key properties of 2-bromo-4-(2,2-dibromoethenyl)phenol?
2-bromo-4-(2,2-dibromoethenyl)phenol has a molecular weight of 356.84 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2-dibromoethenyl)phenol is sourced from PubChem (CID 87569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).