2-bromo-5-methoxy-3,6-dimethylphenol

C9H11BrO2 — CID 84694171

IUPAC2-bromo-5-methoxy-3,6-dimethylphenol
SMILESCOc1cc(C)c(Br)c(O)c1C
InChIInChI=1S/C9H11BrO2/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4,11H,1-3H3
InChIKeyHXQHVRIGMISARZ-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.78
Rot. Bonds1

About 2-bromo-5-methoxy-3,6-dimethylphenol

2-bromo-5-methoxy-3,6-dimethylphenol (PubChem CID 84694171) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-5-methoxy-3,6-dimethylphenol.

Molecular Properties

Compound Name2-bromo-5-methoxy-3,6-dimethylphenol
PubChem CID84694171
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-bromo-5-methoxy-3,6-dimethylphenol
SMILESCOc1cc(C)c(Br)c(O)c1C
InChIInChI=1S/C9H11BrO2/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4,11H,1-3H3
InChIKeyHXQHVRIGMISARZ-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-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
2,6-dibromo-3,5-dimethylphenol
CID 10660357
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
3-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propanal
CID 117434961
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
5-amino-2-bromo-3,6-dimethylphenol
CID 84784556
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
4-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)butanoic acid
CID 117488061
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
3-bromo-6-methoxy-2,4-dimethylbenzoyl chloride
CID 50883161

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-3,6-dimethylphenol?
The IUPAC name of 2-bromo-5-methoxy-3,6-dimethylphenol (CID 84694171) is 2-bromo-5-methoxy-3,6-dimethylphenol.
What is the SMILES notation for 2-bromo-5-methoxy-3,6-dimethylphenol?
The canonical SMILES for 2-bromo-5-methoxy-3,6-dimethylphenol is COc1cc(C)c(Br)c(O)c1C.
What is the InChIKey of 2-bromo-5-methoxy-3,6-dimethylphenol?
The InChIKey is HXQHVRIGMISARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-5-4-7(12-3)6(2)9(11)8(5)10/h4,11H,1-3H3.
What are the key properties of 2-bromo-5-methoxy-3,6-dimethylphenol?
2-bromo-5-methoxy-3,6-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 2-bromo-5-methoxy-3,6-dimethylphenol is sourced from PubChem (CID 84694171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).