2,4-dibromo-3-methoxy-6-methylphenol

C8H8Br2O2 — CID 11822564

IUPAC2,4-dibromo-3-methoxy-6-methylphenol
SMILESCOc1c(Br)cc(C)c(O)c1Br
InChIInChI=1S/C8H8Br2O2/c1-4-3-5(9)8(12-2)6(10)7(4)11/h3,11H,1-2H3
InChIKeyYLSVENZZKYMRCC-UHFFFAOYSA-N
MW295.96 g/mol
LogP3.23
Rot. Bonds1

About 2,4-dibromo-3-methoxy-6-methylphenol

2,4-dibromo-3-methoxy-6-methylphenol (PubChem CID 11822564) has the molecular formula C8H8Br2O2 and a molecular weight of 295.96 g/mol. Its IUPAC name is 2,4-dibromo-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name2,4-dibromo-3-methoxy-6-methylphenol
PubChem CID11822564
Molecular FormulaC8H8Br2O2
Molecular Weight295.96 g/mol
Exact Mass293.89
IUPAC Name2,4-dibromo-3-methoxy-6-methylphenol
SMILESCOc1c(Br)cc(C)c(O)c1Br
InChIInChI=1S/C8H8Br2O2/c1-4-3-5(9)8(12-2)6(10)7(4)11/h3,11H,1-2H3
InChIKeyYLSVENZZKYMRCC-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
3-bromo-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84806657
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
2,4-dibromo-6-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865443
2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol
CID 84810900
deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
CID 163588107

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-methoxy-6-methylphenol?
The IUPAC name of 2,4-dibromo-3-methoxy-6-methylphenol (CID 11822564) is 2,4-dibromo-3-methoxy-6-methylphenol.
What is the SMILES notation for 2,4-dibromo-3-methoxy-6-methylphenol?
The canonical SMILES for 2,4-dibromo-3-methoxy-6-methylphenol is COc1c(Br)cc(C)c(O)c1Br.
What is the InChIKey of 2,4-dibromo-3-methoxy-6-methylphenol?
The InChIKey is YLSVENZZKYMRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O2/c1-4-3-5(9)8(12-2)6(10)7(4)11/h3,11H,1-2H3.
What are the key properties of 2,4-dibromo-3-methoxy-6-methylphenol?
2,4-dibromo-3-methoxy-6-methylphenol has a molecular weight of 295.96 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-methoxy-6-methylphenol is sourced from PubChem (CID 11822564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).