2,3,5-tribromo-4,6-dichlorophenol

C6HBr3Cl2O — CID 15930737

IUPAC2,3,5-tribromo-4,6-dichlorophenol
SMILESOc1c(Cl)c(Br)c(Cl)c(Br)c1Br
InChIInChI=1S/C6HBr3Cl2O/c7-1-2(8)6(12)5(11)3(9)4(1)10/h12H
InChIKeyGFRQPWBHLZPDIF-UHFFFAOYSA-N
MW399.69 g/mol
LogP4.99
Rot. Bonds

About 2,3,5-tribromo-4,6-dichlorophenol

2,3,5-tribromo-4,6-dichlorophenol (PubChem CID 15930737) has the molecular formula C6HBr3Cl2O and a molecular weight of 399.69 g/mol. Its IUPAC name is 2,3,5-tribromo-4,6-dichlorophenol.

Molecular Properties

Compound Name2,3,5-tribromo-4,6-dichlorophenol
PubChem CID15930737
Molecular FormulaC6HBr3Cl2O
Molecular Weight399.69 g/mol
Exact Mass395.70
IUPAC Name2,3,5-tribromo-4,6-dichlorophenol
SMILESOc1c(Cl)c(Br)c(Cl)c(Br)c1Br
InChIInChI=1S/C6HBr3Cl2O/c7-1-2(8)6(12)5(11)3(9)4(1)10/h12H
InChIKeyGFRQPWBHLZPDIF-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tribromo-4,6-dichlorophenol?
The IUPAC name of 2,3,5-tribromo-4,6-dichlorophenol (CID 15930737) is 2,3,5-tribromo-4,6-dichlorophenol.
What is the SMILES notation for 2,3,5-tribromo-4,6-dichlorophenol?
The canonical SMILES for 2,3,5-tribromo-4,6-dichlorophenol is Oc1c(Cl)c(Br)c(Cl)c(Br)c1Br.
What is the InChIKey of 2,3,5-tribromo-4,6-dichlorophenol?
The InChIKey is GFRQPWBHLZPDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr3Cl2O/c7-1-2(8)6(12)5(11)3(9)4(1)10/h12H.
What are the key properties of 2,3,5-tribromo-4,6-dichlorophenol?
2,3,5-tribromo-4,6-dichlorophenol has a molecular weight of 399.69 g/mol, XLogP of 4.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tribromo-4,6-dichlorophenol is sourced from PubChem (CID 15930737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).