oxolan-3-yl-(3-propylimidazol-4-yl)methanol

C11H18N2O2 — CID 66129445

IUPACoxolan-3-yl-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)C1CCOC1
InChIInChI=1S/C11H18N2O2/c1-2-4-13-8-12-6-10(13)11(14)9-3-5-15-7-9/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyVCYRXTPQQVCGEP-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds4

About oxolan-3-yl-(3-propylimidazol-4-yl)methanol

oxolan-3-yl-(3-propylimidazol-4-yl)methanol (PubChem CID 66129445) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is oxolan-3-yl-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Nameoxolan-3-yl-(3-propylimidazol-4-yl)methanol
PubChem CID66129445
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameoxolan-3-yl-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)C1CCOC1
InChIInChI=1S/C11H18N2O2/c1-2-4-13-8-12-6-10(13)11(14)9-3-5-15-7-9/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyVCYRXTPQQVCGEP-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 oxolan-3-yl-(3-propylimidazol-4-yl)methanol?
The IUPAC name of oxolan-3-yl-(3-propylimidazol-4-yl)methanol (CID 66129445) is oxolan-3-yl-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for oxolan-3-yl-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for oxolan-3-yl-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)C1CCOC1.
What is the InChIKey of oxolan-3-yl-(3-propylimidazol-4-yl)methanol?
The InChIKey is VCYRXTPQQVCGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-4-13-8-12-6-10(13)11(14)9-3-5-15-7-9/h6,8-9,11,14H,2-5,7H2,1H3.
What are the key properties of oxolan-3-yl-(3-propylimidazol-4-yl)methanol?
oxolan-3-yl-(3-propylimidazol-4-yl)methanol has a molecular weight of 210.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66129445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).