1-(3-methylimidazol-4-yl)-2-phenylethanol

C12H14N2O — CID 66118824

IUPAC1-(3-methylimidazol-4-yl)-2-phenylethanol
SMILESCn1cncc1C(O)Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-14-9-13-8-11(14)12(15)7-10-5-3-2-4-6-10/h2-6,8-9,12,15H,7H2,1H3
InChIKeyZQHVCCZRGPMNCE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.70
Rot. Bonds3

About 1-(3-methylimidazol-4-yl)-2-phenylethanol

1-(3-methylimidazol-4-yl)-2-phenylethanol (PubChem CID 66118824) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-2-phenylethanol
PubChem CID66118824
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(3-methylimidazol-4-yl)-2-phenylethanol
SMILESCn1cncc1C(O)Cc1ccccc1
InChIInChI=1S/C12H14N2O/c1-14-9-13-8-11(14)12(15)7-10-5-3-2-4-6-10/h2-6,8-9,12,15H,7H2,1H3
InChIKeyZQHVCCZRGPMNCE-UHFFFAOYSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66117765
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
2-(1-ethylpyrazol-4-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116928
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
1-(3-methylimidazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 66116921
2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
4,4,4-trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
2-(1-ethylimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79744158

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-2-phenylethanol?
The IUPAC name of 1-(3-methylimidazol-4-yl)-2-phenylethanol (CID 66118824) is 1-(3-methylimidazol-4-yl)-2-phenylethanol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-2-phenylethanol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-2-phenylethanol is Cn1cncc1C(O)Cc1ccccc1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-2-phenylethanol?
The InChIKey is ZQHVCCZRGPMNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14-9-13-8-11(14)12(15)7-10-5-3-2-4-6-10/h2-6,8-9,12,15H,7H2,1H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-2-phenylethanol?
1-(3-methylimidazol-4-yl)-2-phenylethanol has a molecular weight of 202.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-2-phenylethanol is sourced from PubChem (CID 66118824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).