2,4,6-tribromo-3-methylphenol

C7H5Br3O — CID 20737

💊View drug profile → tribromometacresol
IUPAC2,4,6-tribromo-3-methylphenol
SMILESCc1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
InChIKeyQKHROXOPRBWBDD-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.99
Rot. Bonds

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

2,4,6-tribromo-3-methylphenol (PubChem CID 20737) has the molecular formula C7H5Br3O and a molecular weight of 344.83 g/mol. Its IUPAC name is 2,4,6-tribromo-3-methylphenol.

Molecular Properties

Compound Name2,4,6-tribromo-3-methylphenol
PubChem CID20737
Molecular FormulaC7H5Br3O
Molecular Weight344.83 g/mol
Exact Mass341.79
IUPAC Name2,4,6-tribromo-3-methylphenol
SMILESCc1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3
InChIKeyQKHROXOPRBWBDD-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-methylphenol?
The IUPAC name of 2,4,6-tribromo-3-methylphenol (CID 20737) is 2,4,6-tribromo-3-methylphenol.
What is the SMILES notation for 2,4,6-tribromo-3-methylphenol?
The canonical SMILES for 2,4,6-tribromo-3-methylphenol is Cc1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-methylphenol?
The InChIKey is QKHROXOPRBWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3.
What are the key properties of 2,4,6-tribromo-3-methylphenol?
2,4,6-tribromo-3-methylphenol has a molecular weight of 344.83 g/mol, XLogP of 3.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-methylphenol is sourced from PubChem (CID 20737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).