1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol

C11H14N2O2 — CID 104800764

IUPAC1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1nccn1C
InChIInChI=1S/C11H14N2O2/c1-8-3-6-15-11(8)9(14)7-10-12-4-5-13(10)2/h3-6,9,14H,7H2,1-2H3
InChIKeyQRSXBOMAMVAQKD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.60
Rot. Bonds3

About 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol

1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 104800764) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID104800764
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCc1ccoc1C(O)Cc1nccn1C
InChIInChI=1S/C11H14N2O2/c1-8-3-6-15-11(8)9(14)7-10-12-4-5-13(10)2/h3-6,9,14H,7H2,1-2H3
InChIKeyQRSXBOMAMVAQKD-UHFFFAOYSA-N
XLogP1.60
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol (CID 104800764) is 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol is Cc1ccoc1C(O)Cc1nccn1C.
What is the InChIKey of 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is QRSXBOMAMVAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-6-15-11(8)9(14)7-10-12-4-5-13(10)2/h3-6,9,14H,7H2,1-2H3.
What are the key properties of 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol?
1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 206.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 104800764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).