2-bromo-5,6-dimethoxy-3-methylphenol

C9H11BrO3 — CID 84705992

IUPAC2-bromo-5,6-dimethoxy-3-methylphenol
SMILESCOc1cc(C)c(Br)c(O)c1OC
InChIInChI=1S/C9H11BrO3/c1-5-4-6(12-2)9(13-3)8(11)7(5)10/h4,11H,1-3H3
InChIKeyFBYCWEOYBYHOTJ-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.48
Rot. Bonds2

About 2-bromo-5,6-dimethoxy-3-methylphenol

2-bromo-5,6-dimethoxy-3-methylphenol (PubChem CID 84705992) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is 2-bromo-5,6-dimethoxy-3-methylphenol.

Molecular Properties

Compound Name2-bromo-5,6-dimethoxy-3-methylphenol
PubChem CID84705992
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name2-bromo-5,6-dimethoxy-3-methylphenol
SMILESCOc1cc(C)c(Br)c(O)c1OC
InChIInChI=1S/C9H11BrO3/c1-5-4-6(12-2)9(13-3)8(11)7(5)10/h4,11H,1-3H3
InChIKeyFBYCWEOYBYHOTJ-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
2,6-dibromo-3,5-dimethylphenol
CID 10660357
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dimethoxy-3-methylphenol?
The IUPAC name of 2-bromo-5,6-dimethoxy-3-methylphenol (CID 84705992) is 2-bromo-5,6-dimethoxy-3-methylphenol.
What is the SMILES notation for 2-bromo-5,6-dimethoxy-3-methylphenol?
The canonical SMILES for 2-bromo-5,6-dimethoxy-3-methylphenol is COc1cc(C)c(Br)c(O)c1OC.
What is the InChIKey of 2-bromo-5,6-dimethoxy-3-methylphenol?
The InChIKey is FBYCWEOYBYHOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-5-4-6(12-2)9(13-3)8(11)7(5)10/h4,11H,1-3H3.
What are the key properties of 2-bromo-5,6-dimethoxy-3-methylphenol?
2-bromo-5,6-dimethoxy-3-methylphenol has a molecular weight of 247.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dimethoxy-3-methylphenol is sourced from PubChem (CID 84705992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).