4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol

C12H12O2S — CID 115467108

IUPAC4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(c2ccsc2)CCCc2occc21
InChIInChI=1S/C12H12O2S/c13-12(9-4-7-15-8-9)5-1-2-11-10(12)3-6-14-11/h3-4,6-8,13H,1-2,5H2
InChIKeyCSIWGGBKCXOKPB-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.91
Rot. Bonds1

About 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol

4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115467108) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115467108
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(c2ccsc2)CCCc2occc21
InChIInChI=1S/C12H12O2S/c13-12(9-4-7-15-8-9)5-1-2-11-10(12)3-6-14-11/h3-4,6-8,13H,1-2,5H2
InChIKeyCSIWGGBKCXOKPB-UHFFFAOYSA-N
XLogP2.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115467108) is 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol is OC1(c2ccsc2)CCCc2occc21.
What is the InChIKey of 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is CSIWGGBKCXOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c13-12(9-4-7-15-8-9)5-1-2-11-10(12)3-6-14-11/h3-4,6-8,13H,1-2,5H2.
What are the key properties of 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 220.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115467108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).