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

C8H5Br3O — CID 118005946

IUPAC3-bromo-2-(2,2-dibromoethenyl)phenol
SMILESOc1cccc(Br)c1C=C(Br)Br
InChIInChI=1S/C8H5Br3O/c9-6-2-1-3-7(12)5(6)4-8(10)11/h1-4,12H
InChIKeyCDYHVGYAGOJYJD-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.24
Rot. Bonds1

About 3-bromo-2-(2,2-dibromoethenyl)phenol

3-bromo-2-(2,2-dibromoethenyl)phenol (PubChem CID 118005946) has the molecular formula C8H5Br3O and a molecular weight of 356.84 g/mol. Its IUPAC name is 3-bromo-2-(2,2-dibromoethenyl)phenol.

Molecular Properties

Compound Name3-bromo-2-(2,2-dibromoethenyl)phenol
PubChem CID118005946
Molecular FormulaC8H5Br3O
Molecular Weight356.84 g/mol
Exact Mass353.79
IUPAC Name3-bromo-2-(2,2-dibromoethenyl)phenol
SMILESOc1cccc(Br)c1C=C(Br)Br
InChIInChI=1S/C8H5Br3O/c9-6-2-1-3-7(12)5(6)4-8(10)11/h1-4,12H
InChIKeyCDYHVGYAGOJYJD-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,2-dibromoethenyl)phenol?
The IUPAC name of 3-bromo-2-(2,2-dibromoethenyl)phenol (CID 118005946) is 3-bromo-2-(2,2-dibromoethenyl)phenol.
What is the SMILES notation for 3-bromo-2-(2,2-dibromoethenyl)phenol?
The canonical SMILES for 3-bromo-2-(2,2-dibromoethenyl)phenol is Oc1cccc(Br)c1C=C(Br)Br.
What is the InChIKey of 3-bromo-2-(2,2-dibromoethenyl)phenol?
The InChIKey is CDYHVGYAGOJYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3O/c9-6-2-1-3-7(12)5(6)4-8(10)11/h1-4,12H.
What are the key properties of 3-bromo-2-(2,2-dibromoethenyl)phenol?
3-bromo-2-(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 3-bromo-2-(2,2-dibromoethenyl)phenol is sourced from PubChem (CID 118005946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).