2,6-dibromo-4-chlorophenol

C6H3Br2ClO — CID 21394

IUPAC2,6-dibromo-4-chlorophenol
SMILESOc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C6H3Br2ClO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKeyWYZQOLPTPZDTIF-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.57
Rot. Bonds

About 2,6-dibromo-4-chlorophenol

2,6-dibromo-4-chlorophenol (PubChem CID 21394) has the molecular formula C6H3Br2ClO and a molecular weight of 286.35 g/mol. Its IUPAC name is 2,6-dibromo-4-chlorophenol.

Molecular Properties

Compound Name2,6-dibromo-4-chlorophenol
PubChem CID21394
Molecular FormulaC6H3Br2ClO
Molecular Weight286.35 g/mol
Exact Mass283.82
IUPAC Name2,6-dibromo-4-chlorophenol
SMILESOc1c(Br)cc(Cl)cc1Br
InChIInChI=1S/C6H3Br2ClO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKeyWYZQOLPTPZDTIF-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-chlorophenol?
The IUPAC name of 2,6-dibromo-4-chlorophenol (CID 21394) is 2,6-dibromo-4-chlorophenol.
What is the SMILES notation for 2,6-dibromo-4-chlorophenol?
The canonical SMILES for 2,6-dibromo-4-chlorophenol is Oc1c(Br)cc(Cl)cc1Br.
What is the InChIKey of 2,6-dibromo-4-chlorophenol?
The InChIKey is WYZQOLPTPZDTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H.
What are the key properties of 2,6-dibromo-4-chlorophenol?
2,6-dibromo-4-chlorophenol has a molecular weight of 286.35 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-chlorophenol is sourced from PubChem (CID 21394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).