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

C8H7Br3O — CID 174691001

IUPAC2,4-dibromo-6-(2-bromoethyl)phenol
SMILESOc1c(Br)cc(Br)cc1CCBr
InChIInChI=1S/C8H7Br3O/c9-2-1-5-3-6(10)4-7(11)8(5)12/h3-4,12H,1-2H2
InChIKeyVTUXFRFXUHGLGM-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.85
Rot. Bonds2

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

2,4-dibromo-6-(2-bromoethyl)phenol (PubChem CID 174691001) has the molecular formula C8H7Br3O and a molecular weight of 358.86 g/mol. Its IUPAC name is 2,4-dibromo-6-(2-bromoethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(2-bromoethyl)phenol
PubChem CID174691001
Molecular FormulaC8H7Br3O
Molecular Weight358.86 g/mol
Exact Mass355.80
IUPAC Name2,4-dibromo-6-(2-bromoethyl)phenol
SMILESOc1c(Br)cc(Br)cc1CCBr
InChIInChI=1S/C8H7Br3O/c9-2-1-5-3-6(10)4-7(11)8(5)12/h3-4,12H,1-2H2
InChIKeyVTUXFRFXUHGLGM-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[2-[2-(3,5-dibromo-2-hydroxyphenyl)ethoxy]ethyl]phenol
CID 154285316
2-(2-amino-3-hydroxypropyl)-4,6-dibromophenol
CID 131025607
2,4-dibromo-6-(diazenylmethyl)phenol
CID 67749909
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2,4-dibromo-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 115904465
2-bromo-4-chloro-6-(2-hydroxyethyl)phenol
CID 25225387
3,5,7-tribromo-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 632205
3-[(3,5-dibromo-2-hydroxyphenyl)methylamino]propanamide
CID 104586806
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368
[3,5-dibromo-2-(bromomethyl)phenyl]methanol
CID 22121392
bis[(3,5-dibromo-2-hydroxyphenyl)methyl] benzene-1,3-dicarboxylate
CID 176845683
2,4-dibromo-6-[[cyclopentyl(propan-2-yl)amino]methyl]phenol
CID 154347389

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(2-bromoethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(2-bromoethyl)phenol (CID 174691001) is 2,4-dibromo-6-(2-bromoethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(2-bromoethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(2-bromoethyl)phenol is Oc1c(Br)cc(Br)cc1CCBr.
What is the InChIKey of 2,4-dibromo-6-(2-bromoethyl)phenol?
The InChIKey is VTUXFRFXUHGLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br3O/c9-2-1-5-3-6(10)4-7(11)8(5)12/h3-4,12H,1-2H2.
What are the key properties of 2,4-dibromo-6-(2-bromoethyl)phenol?
2,4-dibromo-6-(2-bromoethyl)phenol has a molecular weight of 358.86 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2-bromoethyl)phenol is sourced from PubChem (CID 174691001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).