3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole

C12H9NO3S — CID 141388933

IUPAC3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole
SMILESc1coc(Oc2cc[nH]c2Oc2cccs2)c1
InChIInChI=1S/C12H9NO3S/c1-3-10(14-7-1)15-9-5-6-13-12(9)16-11-4-2-8-17-11/h1-8,13H
InChIKeyHXJSGWYADSTANJ-UHFFFAOYSA-N
MW247.28 g/mol
LogP4.25
Rot. Bonds4

About 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole

3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole (PubChem CID 141388933) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole.

Molecular Properties

Compound Name3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole
PubChem CID141388933
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole
SMILESc1coc(Oc2cc[nH]c2Oc2cccs2)c1
InChIInChI=1S/C12H9NO3S/c1-3-10(14-7-1)15-9-5-6-13-12(9)16-11-4-2-8-17-11/h1-8,13H
InChIKeyHXJSGWYADSTANJ-UHFFFAOYSA-N
XLogP4.25
TPSA47.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole?
The IUPAC name of 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole (CID 141388933) is 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole.
What is the SMILES notation for 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole?
The canonical SMILES for 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole is c1coc(Oc2cc[nH]c2Oc2cccs2)c1.
What is the InChIKey of 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole?
The InChIKey is HXJSGWYADSTANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c1-3-10(14-7-1)15-9-5-6-13-12(9)16-11-4-2-8-17-11/h1-8,13H.
What are the key properties of 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole?
3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole has a molecular weight of 247.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yloxy)-2-thiophen-2-yloxy-1H-pyrrole is sourced from PubChem (CID 141388933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).