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

C9H11BrO2 — CID 84694174

IUPAC6-bromo-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(C)c(C)cc(Br)c1O
InChIInChI=1S/C9H11BrO2/c1-5-4-7(10)8(11)9(12-3)6(5)2/h4,11H,1-3H3
InChIKeyRRBJVKNOIQEEMO-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.78
Rot. Bonds1

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

6-bromo-2-methoxy-3,4-dimethylphenol (PubChem CID 84694174) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 6-bromo-2-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name6-bromo-2-methoxy-3,4-dimethylphenol
PubChem CID84694174
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name6-bromo-2-methoxy-3,4-dimethylphenol
SMILESCOc1c(C)c(C)cc(Br)c1O
InChIInChI=1S/C9H11BrO2/c1-5-4-7(10)8(11)9(12-3)6(5)2/h4,11H,1-3H3
InChIKeyRRBJVKNOIQEEMO-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-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
6-(2-amino-2-methylpropyl)-2-methoxy-3,4-dimethylphenol
CID 117320493
deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
CID 163588107
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-3,4-dimethylphenol?
The IUPAC name of 6-bromo-2-methoxy-3,4-dimethylphenol (CID 84694174) is 6-bromo-2-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 6-bromo-2-methoxy-3,4-dimethylphenol?
The canonical SMILES for 6-bromo-2-methoxy-3,4-dimethylphenol is COc1c(C)c(C)cc(Br)c1O.
What is the InChIKey of 6-bromo-2-methoxy-3,4-dimethylphenol?
The InChIKey is RRBJVKNOIQEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-5-4-7(10)8(11)9(12-3)6(5)2/h4,11H,1-3H3.
What are the key properties of 6-bromo-2-methoxy-3,4-dimethylphenol?
6-bromo-2-methoxy-3,4-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 6-bromo-2-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 84694174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).