2,4-dibromophenol

C6H4Br2O — CID 12005

IUPAC2,4-dibromophenol
SMILESOc1ccc(Br)cc1Br
InChIInChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyFAXWFCTVSHEODL-UHFFFAOYSA-N
MW251.91 g/mol
LogP2.92
Rot. Bonds

About 2,4-dibromophenol

2,4-dibromophenol (PubChem CID 12005) has the molecular formula C6H4Br2O and a molecular weight of 251.91 g/mol. Its IUPAC name is 2,4-dibromophenol.

Molecular Properties

Compound Name2,4-dibromophenol
PubChem CID12005
Molecular FormulaC6H4Br2O
Molecular Weight251.91 g/mol
Exact Mass249.86
IUPAC Name2,4-dibromophenol
SMILESOc1ccc(Br)cc1Br
InChIInChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyFAXWFCTVSHEODL-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.91
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromophenol?
The IUPAC name of 2,4-dibromophenol (CID 12005) is 2,4-dibromophenol.
What is the SMILES notation for 2,4-dibromophenol?
The canonical SMILES for 2,4-dibromophenol is Oc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromophenol?
The InChIKey is FAXWFCTVSHEODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H.
What are the key properties of 2,4-dibromophenol?
2,4-dibromophenol has a molecular weight of 251.91 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromophenol is sourced from PubChem (CID 12005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).