2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

C12H18N2O2 — CID 79752623

IUPAC2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1CC2CCC1O2
InChIInChI=1S/C12H18N2O2/c1-14-5-4-13-12(14)7-10(15)9-6-8-2-3-11(9)16-8/h4-5,8-11,15H,2-3,6-7H2,1H3
InChIKeyDNXQUHATFHCLIN-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.89
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol

2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (PubChem CID 79752623) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
PubChem CID79752623
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1CC2CCC1O2
InChIInChI=1S/C12H18N2O2/c1-14-5-4-13-12(14)7-10(15)9-6-8-2-3-11(9)16-8/h4-5,8-11,15H,2-3,6-7H2,1H3
InChIKeyDNXQUHATFHCLIN-UHFFFAOYSA-N
XLogP0.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol (CID 79752623) is 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is Cn1ccnc1CC(O)C1CC2CCC1O2.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
The InChIKey is DNXQUHATFHCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-5-4-13-12(14)7-10(15)9-6-8-2-3-11(9)16-8/h4-5,8-11,15H,2-3,6-7H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol?
2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol is sourced from PubChem (CID 79752623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).