2-(3-ethylimidazol-4-yl)phenol

C11H12N2O — CID 67055650

IUPAC2-(3-ethylimidazol-4-yl)phenol
SMILESCCn1cncc1-c1ccccc1O
InChIInChI=1S/C11H12N2O/c1-2-13-8-12-7-10(13)9-5-3-4-6-11(9)14/h3-8,14H,2H2,1H3
InChIKeyWMCSVEHNIYHRKN-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.28
Rot. Bonds2

About 2-(3-ethylimidazol-4-yl)phenol

2-(3-ethylimidazol-4-yl)phenol (PubChem CID 67055650) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)phenol.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)phenol
PubChem CID67055650
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3-ethylimidazol-4-yl)phenol
SMILESCCn1cncc1-c1ccccc1O
InChIInChI=1S/C11H12N2O/c1-2-13-8-12-7-10(13)9-5-3-4-6-11(9)14/h3-8,14H,2H2,1H3
InChIKeyWMCSVEHNIYHRKN-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)phenol?
The IUPAC name of 2-(3-ethylimidazol-4-yl)phenol (CID 67055650) is 2-(3-ethylimidazol-4-yl)phenol.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)phenol?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)phenol is CCn1cncc1-c1ccccc1O.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)phenol?
The InChIKey is WMCSVEHNIYHRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-13-8-12-7-10(13)9-5-3-4-6-11(9)14/h3-8,14H,2H2,1H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)phenol?
2-(3-ethylimidazol-4-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)phenol is sourced from PubChem (CID 67055650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).