3-(5-bromo-1-methylimidazol-2-yl)oxyphenol

C10H9BrN2O2 — CID 117190479

IUPAC3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
SMILESCn1c(Br)cnc1Oc1cccc(O)c1
InChIInChI=1S/C10H9BrN2O2/c1-13-9(11)6-12-10(13)15-8-4-2-3-7(14)5-8/h2-6,14H,1H3
InChIKeyXMUMLWSFIXIECQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.68
Rot. Bonds2

About 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol

3-(5-bromo-1-methylimidazol-2-yl)oxyphenol (PubChem CID 117190479) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol.

Molecular Properties

Compound Name3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
PubChem CID117190479
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
SMILESCn1c(Br)cnc1Oc1cccc(O)c1
InChIInChI=1S/C10H9BrN2O2/c1-13-9(11)6-12-10(13)15-8-4-2-3-7(14)5-8/h2-6,14H,1H3
InChIKeyXMUMLWSFIXIECQ-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-chlorophenoxy)-1-methylimidazole
CID 117190500
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
CID 117190482
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
3-(1-tert-butylpyrazol-4-yl)oxyphenol
CID 117229457
4-(5-amino-1-methylimidazol-2-yl)oxyphenol
CID 117190503
3-[1-(2-hydroxypropyl)pyrazol-4-yl]oxyphenol
CID 117124853

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol?
The IUPAC name of 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol (CID 117190479) is 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol.
What is the SMILES notation for 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol?
The canonical SMILES for 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol is Cn1c(Br)cnc1Oc1cccc(O)c1.
What is the InChIKey of 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol?
The InChIKey is XMUMLWSFIXIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-9(11)6-12-10(13)15-8-4-2-3-7(14)5-8/h2-6,14H,1H3.
What are the key properties of 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol?
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol has a molecular weight of 269.10 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylimidazol-2-yl)oxyphenol is sourced from PubChem (CID 117190479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).