4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol

C13H16N2O2 — CID 83075627

IUPAC4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
SMILESCCn1ccnc1C(C)(O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O2/c1-3-15-9-8-14-12(15)13(2,17)10-4-6-11(16)7-5-10/h4-9,16-17H,3H2,1-2H3
InChIKeyFDXUSESIPIYZFX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds3

About 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol

4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol (PubChem CID 83075627) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
PubChem CID83075627
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
SMILESCCn1ccnc1C(C)(O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O2/c1-3-15-9-8-14-12(15)13(2,17)10-4-6-11(16)7-5-10/h4-9,16-17H,3H2,1-2H3
InChIKeyFDXUSESIPIYZFX-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975624
(1-ethylimidazol-2-yl)-(4-methylphenyl)-phenylmethanol
CID 2881215
2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
CID 66038409
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
1-(3-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanol
CID 63974584
2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile
CID 130544225
N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine
CID 81034890
1-(1-ethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
CID 54471729
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
3-(1-propylimidazol-2-yl)pentan-3-ol
CID 63974999

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol?
The IUPAC name of 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol (CID 83075627) is 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol is CCn1ccnc1C(C)(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol?
The InChIKey is FDXUSESIPIYZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15-9-8-14-12(15)13(2,17)10-4-6-11(16)7-5-10/h4-9,16-17H,3H2,1-2H3.
What are the key properties of 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol?
4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol has a molecular weight of 232.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol is sourced from PubChem (CID 83075627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).