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

C9H11BrO2 — CID 84694160

IUPAC3-bromo-2-methoxy-4,6-dimethylphenol
SMILESCOc1c(O)c(C)cc(C)c1Br
InChIInChI=1S/C9H11BrO2/c1-5-4-6(2)8(11)9(12-3)7(5)10/h4,11H,1-3H3
InChIKeyLEVCDFZLEBCAOT-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.78
Rot. Bonds1

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

3-bromo-2-methoxy-4,6-dimethylphenol (PubChem CID 84694160) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-bromo-2-methoxy-4,6-dimethylphenol.

Molecular Properties

Compound Name3-bromo-2-methoxy-4,6-dimethylphenol
PubChem CID84694160
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name3-bromo-2-methoxy-4,6-dimethylphenol
SMILESCOc1c(O)c(C)cc(C)c1Br
InChIInChI=1S/C9H11BrO2/c1-5-4-6(2)8(11)9(12-3)7(5)10/h4,11H,1-3H3
InChIKeyLEVCDFZLEBCAOT-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
2-bromo-4,6-dimethylbenzene-1,3-diol
CID 130032305
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3-bromo-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84806657
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methoxy-4,6-dimethylphenol?
The IUPAC name of 3-bromo-2-methoxy-4,6-dimethylphenol (CID 84694160) is 3-bromo-2-methoxy-4,6-dimethylphenol.
What is the SMILES notation for 3-bromo-2-methoxy-4,6-dimethylphenol?
The canonical SMILES for 3-bromo-2-methoxy-4,6-dimethylphenol is COc1c(O)c(C)cc(C)c1Br.
What is the InChIKey of 3-bromo-2-methoxy-4,6-dimethylphenol?
The InChIKey is LEVCDFZLEBCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-5-4-6(2)8(11)9(12-3)7(5)10/h4,11H,1-3H3.
What are the key properties of 3-bromo-2-methoxy-4,6-dimethylphenol?
3-bromo-2-methoxy-4,6-dimethylphenol has a molecular weight of 231.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methoxy-4,6-dimethylphenol is sourced from PubChem (CID 84694160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).