2,6-dibromo-3,5-dimethylphenol

C8H8Br2O — CID 10660357

IUPAC2,6-dibromo-3,5-dimethylphenol
SMILESCc1cc(C)c(Br)c(O)c1Br
InChIInChI=1S/C8H8Br2O/c1-4-3-5(2)7(10)8(11)6(4)9/h3,11H,1-2H3
InChIKeyXLQZZIWSAWDWJP-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.53
Rot. Bonds

About 2,6-dibromo-3,5-dimethylphenol

2,6-dibromo-3,5-dimethylphenol (PubChem CID 10660357) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 2,6-dibromo-3,5-dimethylphenol.

Molecular Properties

Compound Name2,6-dibromo-3,5-dimethylphenol
PubChem CID10660357
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name2,6-dibromo-3,5-dimethylphenol
SMILESCc1cc(C)c(Br)c(O)c1Br
InChIInChI=1S/C8H8Br2O/c1-4-3-5(2)7(10)8(11)6(4)9/h3,11H,1-2H3
InChIKeyXLQZZIWSAWDWJP-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,5-dimethylphenol?
The IUPAC name of 2,6-dibromo-3,5-dimethylphenol (CID 10660357) is 2,6-dibromo-3,5-dimethylphenol.
What is the SMILES notation for 2,6-dibromo-3,5-dimethylphenol?
The canonical SMILES for 2,6-dibromo-3,5-dimethylphenol is Cc1cc(C)c(Br)c(O)c1Br.
What is the InChIKey of 2,6-dibromo-3,5-dimethylphenol?
The InChIKey is XLQZZIWSAWDWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-4-3-5(2)7(10)8(11)6(4)9/h3,11H,1-2H3.
What are the key properties of 2,6-dibromo-3,5-dimethylphenol?
2,6-dibromo-3,5-dimethylphenol has a molecular weight of 279.96 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,5-dimethylphenol is sourced from PubChem (CID 10660357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).