3-bromo-4-chloro-2,6-dimethylphenol

C8H8BrClO — CID 86152759

IUPAC3-bromo-4-chloro-2,6-dimethylphenol
SMILESCc1cc(Cl)c(Br)c(C)c1O
InChIInChI=1S/C8H8BrClO/c1-4-3-6(10)7(9)5(2)8(4)11/h3,11H,1-2H3
InChIKeyJQPIACUMBBGKSM-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.42
Rot. Bonds

About 3-bromo-4-chloro-2,6-dimethylphenol

3-bromo-4-chloro-2,6-dimethylphenol (PubChem CID 86152759) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 3-bromo-4-chloro-2,6-dimethylphenol.

Molecular Properties

Compound Name3-bromo-4-chloro-2,6-dimethylphenol
PubChem CID86152759
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name3-bromo-4-chloro-2,6-dimethylphenol
SMILESCc1cc(Cl)c(Br)c(C)c1O
InChIInChI=1S/C8H8BrClO/c1-4-3-6(10)7(9)5(2)8(4)11/h3,11H,1-2H3
InChIKeyJQPIACUMBBGKSM-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
3-bromo-2-chloro-5-methylbenzene-1,4-diol
CID 59638989
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
4-chloro-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117306028
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
actinium;2,3,5-trimethylbenzene-1,4-diol
CID 22949987
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3,4,5-tribromo-2-chloro-6-methylphenol
CID 3019825
4-bromo-2,3,5-trimethylphenol
CID 3629334
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117329357

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-2,6-dimethylphenol?
The IUPAC name of 3-bromo-4-chloro-2,6-dimethylphenol (CID 86152759) is 3-bromo-4-chloro-2,6-dimethylphenol.
What is the SMILES notation for 3-bromo-4-chloro-2,6-dimethylphenol?
The canonical SMILES for 3-bromo-4-chloro-2,6-dimethylphenol is Cc1cc(Cl)c(Br)c(C)c1O.
What is the InChIKey of 3-bromo-4-chloro-2,6-dimethylphenol?
The InChIKey is JQPIACUMBBGKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-4-3-6(10)7(9)5(2)8(4)11/h3,11H,1-2H3.
What are the key properties of 3-bromo-4-chloro-2,6-dimethylphenol?
3-bromo-4-chloro-2,6-dimethylphenol has a molecular weight of 235.51 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-2,6-dimethylphenol is sourced from PubChem (CID 86152759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).