2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol

C12H18N2O — CID 116660154

IUPAC2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1C(O)CC1=CCCCC1
InChIInChI=1S/C12H18N2O/c1-14-8-7-13-12(14)11(15)9-10-5-3-2-4-6-10/h5,7-8,11,15H,2-4,6,9H2,1H3
InChIKeyXHWUTDFJPMWPLQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.34
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol

2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol (PubChem CID 116660154) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
PubChem CID116660154
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1C(O)CC1=CCCCC1
InChIInChI=1S/C12H18N2O/c1-14-8-7-13-12(14)11(15)9-10-5-3-2-4-6-10/h5,7-8,11,15H,2-4,6,9H2,1H3
InChIKeyXHWUTDFJPMWPLQ-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
CID 116661175
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
CID 116660155
1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanol
CID 63976645
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074
2-(3-bromophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63975789
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
CID 10900362
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(cyclohexen-1-yl)ethanol
CID 114645545
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105098837

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol (CID 116660154) is 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1C(O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol?
The InChIKey is XHWUTDFJPMWPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-7-13-12(14)11(15)9-10-5-3-2-4-6-10/h5,7-8,11,15H,2-4,6,9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol?
2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 116660154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).