(3-ethylimidazol-4-yl)-(oxan-4-yl)methanol

C11H18N2O2 — CID 66132883

IUPAC(3-ethylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESCCn1cncc1C(O)C1CCOCC1
InChIInChI=1S/C11H18N2O2/c1-2-13-8-12-7-10(13)11(14)9-3-5-15-6-4-9/h7-9,11,14H,2-6H2,1H3
InChIKeyKAOUWKNADWTGIP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds3

About (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol

(3-ethylimidazol-4-yl)-(oxan-4-yl)methanol (PubChem CID 66132883) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-(oxan-4-yl)methanol
PubChem CID66132883
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3-ethylimidazol-4-yl)-(oxan-4-yl)methanol
SMILESCCn1cncc1C(O)C1CCOCC1
InChIInChI=1S/C11H18N2O2/c1-2-13-8-12-7-10(13)11(14)9-3-5-15-6-4-9/h7-9,11,14H,2-6H2,1H3
InChIKeyKAOUWKNADWTGIP-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol?
The IUPAC name of (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol (CID 66132883) is (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol is CCn1cncc1C(O)C1CCOCC1.
What is the InChIKey of (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol?
The InChIKey is KAOUWKNADWTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-13-8-12-7-10(13)11(14)9-3-5-15-6-4-9/h7-9,11,14H,2-6H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol?
(3-ethylimidazol-4-yl)-(oxan-4-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 66132883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).