2,4,6-tribromophenol

C6H3Br3O — CID 1483

IUPAC2,4,6-tribromophenol
SMILESOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.68
Rot. Bonds

About 2,4,6-tribromophenol

2,4,6-tribromophenol (PubChem CID 1483) has the molecular formula C6H3Br3O and a molecular weight of 330.80 g/mol. Its IUPAC name is 2,4,6-tribromophenol.

Molecular Properties

Compound Name2,4,6-tribromophenol
PubChem CID1483
Molecular FormulaC6H3Br3O
Molecular Weight330.80 g/mol
Exact Mass327.77
IUPAC Name2,4,6-tribromophenol
SMILESOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromophenol?
The IUPAC name of 2,4,6-tribromophenol (CID 1483) is 2,4,6-tribromophenol.
What is the SMILES notation for 2,4,6-tribromophenol?
The canonical SMILES for 2,4,6-tribromophenol is Oc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromophenol?
The InChIKey is BSWWXRFVMJHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H.
What are the key properties of 2,4,6-tribromophenol?
2,4,6-tribromophenol has a molecular weight of 330.80 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromophenol is sourced from PubChem (CID 1483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).