5-bromo-2,3-dimethoxy-4-methylphenol

C9H11BrO3 — CID 84705997

IUPAC5-bromo-2,3-dimethoxy-4-methylphenol
SMILESCOc1c(O)cc(Br)c(C)c1OC
InChIInChI=1S/C9H11BrO3/c1-5-6(10)4-7(11)9(13-3)8(5)12-2/h4,11H,1-3H3
InChIKeyKTRZFZPHTFFIOM-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.48
Rot. Bonds2

About 5-bromo-2,3-dimethoxy-4-methylphenol

5-bromo-2,3-dimethoxy-4-methylphenol (PubChem CID 84705997) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-2,3-dimethoxy-4-methylphenol.

Molecular Properties

Compound Name5-bromo-2,3-dimethoxy-4-methylphenol
PubChem CID84705997
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name5-bromo-2,3-dimethoxy-4-methylphenol
SMILESCOc1c(O)cc(Br)c(C)c1OC
InChIInChI=1S/C9H11BrO3/c1-5-6(10)4-7(11)9(13-3)8(5)12-2/h4,11H,1-3H3
InChIKeyKTRZFZPHTFFIOM-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

3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
CID 117403931
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
5-bromo-2-methoxy-4-methyl-3-[2-(methylamino)ethyl]phenol
CID 117437713
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156
3-amino-3-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)propanoic acid
CID 117488976
6-(1-aminoethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84710112
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
5-bromo-3-(1-isocyanatocyclopropyl)-2-methoxy-4-methylphenol
CID 117479756
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethoxy-4-methylphenol?
The IUPAC name of 5-bromo-2,3-dimethoxy-4-methylphenol (CID 84705997) is 5-bromo-2,3-dimethoxy-4-methylphenol.
What is the SMILES notation for 5-bromo-2,3-dimethoxy-4-methylphenol?
The canonical SMILES for 5-bromo-2,3-dimethoxy-4-methylphenol is COc1c(O)cc(Br)c(C)c1OC.
What is the InChIKey of 5-bromo-2,3-dimethoxy-4-methylphenol?
The InChIKey is KTRZFZPHTFFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-5-6(10)4-7(11)9(13-3)8(5)12-2/h4,11H,1-3H3.
What are the key properties of 5-bromo-2,3-dimethoxy-4-methylphenol?
5-bromo-2,3-dimethoxy-4-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 5-bromo-2,3-dimethoxy-4-methylphenol is sourced from PubChem (CID 84705997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).