2,3,6-tribromo-4-chlorophenol

C6H2Br3ClO — CID 154096630

IUPAC2,3,6-tribromo-4-chlorophenol
SMILESOc1c(Br)cc(Cl)c(Br)c1Br
InChIInChI=1S/C6H2Br3ClO/c7-2-1-3(10)4(8)5(9)6(2)11/h1,11H
InChIKeyCBVQIDQDYSVVIS-UHFFFAOYSA-N
MW365.25 g/mol
LogP4.33
Rot. Bonds

About 2,3,6-tribromo-4-chlorophenol

2,3,6-tribromo-4-chlorophenol (PubChem CID 154096630) has the molecular formula C6H2Br3ClO and a molecular weight of 365.25 g/mol. Its IUPAC name is 2,3,6-tribromo-4-chlorophenol.

Molecular Properties

Compound Name2,3,6-tribromo-4-chlorophenol
PubChem CID154096630
Molecular FormulaC6H2Br3ClO
Molecular Weight365.25 g/mol
Exact Mass361.73
IUPAC Name2,3,6-tribromo-4-chlorophenol
SMILESOc1c(Br)cc(Cl)c(Br)c1Br
InChIInChI=1S/C6H2Br3ClO/c7-2-1-3(10)4(8)5(9)6(2)11/h1,11H
InChIKeyCBVQIDQDYSVVIS-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.33
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 2,3,6-tribromo-4-chlorophenol?
The IUPAC name of 2,3,6-tribromo-4-chlorophenol (CID 154096630) is 2,3,6-tribromo-4-chlorophenol.
What is the SMILES notation for 2,3,6-tribromo-4-chlorophenol?
The canonical SMILES for 2,3,6-tribromo-4-chlorophenol is Oc1c(Br)cc(Cl)c(Br)c1Br.
What is the InChIKey of 2,3,6-tribromo-4-chlorophenol?
The InChIKey is CBVQIDQDYSVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br3ClO/c7-2-1-3(10)4(8)5(9)6(2)11/h1,11H.
What are the key properties of 2,3,6-tribromo-4-chlorophenol?
2,3,6-tribromo-4-chlorophenol has a molecular weight of 365.25 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-tribromo-4-chlorophenol is sourced from PubChem (CID 154096630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).