3,5-dibromo-2,6-dimethylphenol

C8H8Br2O — CID 13108684

IUPAC3,5-dibromo-2,6-dimethylphenol
SMILESCc1c(Br)cc(Br)c(C)c1O
InChIInChI=1S/C8H8Br2O/c1-4-6(9)3-7(10)5(2)8(4)11/h3,11H,1-2H3
InChIKeyICXXAMGKHCPJSR-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.53
Rot. Bonds

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

3,5-dibromo-2,6-dimethylphenol (PubChem CID 13108684) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 3,5-dibromo-2,6-dimethylphenol.

Molecular Properties

Compound Name3,5-dibromo-2,6-dimethylphenol
PubChem CID13108684
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name3,5-dibromo-2,6-dimethylphenol
SMILESCc1c(Br)cc(Br)c(C)c1O
InChIInChI=1S/C8H8Br2O/c1-4-6(9)3-7(10)5(2)8(4)11/h3,11H,1-2H3
InChIKeyICXXAMGKHCPJSR-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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Related Compounds

3-bromo-2,6-dimethylphenol;ethane
CID 142823645
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
2-(1-amino-2-hydroxyethyl)-5-bromo-3,6-dimethylphenol
CID 82623841
bis(3-bromo-2,5-dimethylphenyl)methanone
CID 139698433
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
2,4,6-tribromo-3-methylbenzenethiol
CID 151888094
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
CID 84706862
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2,6-dimethylphenol?
The IUPAC name of 3,5-dibromo-2,6-dimethylphenol (CID 13108684) is 3,5-dibromo-2,6-dimethylphenol.
What is the SMILES notation for 3,5-dibromo-2,6-dimethylphenol?
The canonical SMILES for 3,5-dibromo-2,6-dimethylphenol is Cc1c(Br)cc(Br)c(C)c1O.
What is the InChIKey of 3,5-dibromo-2,6-dimethylphenol?
The InChIKey is ICXXAMGKHCPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-4-6(9)3-7(10)5(2)8(4)11/h3,11H,1-2H3.
What are the key properties of 3,5-dibromo-2,6-dimethylphenol?
3,5-dibromo-2,6-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 3,5-dibromo-2,6-dimethylphenol is sourced from PubChem (CID 13108684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).