4-bromo-2,6-dimethylphenol

C8H9BrO — CID 16919

IUPAC4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)cc(C)c1O
InChIInChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKeyZLVFYUORUHNMBO-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.77
Rot. Bonds

About 4-bromo-2,6-dimethylphenol

4-bromo-2,6-dimethylphenol (PubChem CID 16919) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 4-bromo-2,6-dimethylphenol.

Molecular Properties

Compound Name4-bromo-2,6-dimethylphenol
PubChem CID16919
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)cc(C)c1O
InChIInChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKeyZLVFYUORUHNMBO-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethylphenol?
The IUPAC name of 4-bromo-2,6-dimethylphenol (CID 16919) is 4-bromo-2,6-dimethylphenol.
What is the SMILES notation for 4-bromo-2,6-dimethylphenol?
The canonical SMILES for 4-bromo-2,6-dimethylphenol is Cc1cc(Br)cc(C)c1O.
What is the InChIKey of 4-bromo-2,6-dimethylphenol?
The InChIKey is ZLVFYUORUHNMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3.
What are the key properties of 4-bromo-2,6-dimethylphenol?
4-bromo-2,6-dimethylphenol has a molecular weight of 201.06 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethylphenol is sourced from PubChem (CID 16919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).