(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone

C13H8O3S — CID 674272

IUPAC(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1coc2ccc(O)cc12
InChIInChI=1S/C13H8O3S/c14-8-3-4-11-9(6-8)10(7-16-11)13(15)12-2-1-5-17-12/h1-7,14H
InChIKeyWUVWVWAZLNEFCT-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.43
Rot. Bonds2

About (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone

(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone (PubChem CID 674272) has the molecular formula C13H8O3S and a molecular weight of 244.27 g/mol. Its IUPAC name is (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
PubChem CID674272
Molecular FormulaC13H8O3S
Molecular Weight244.27 g/mol
Exact Mass244.02
IUPAC Name(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1coc2ccc(O)cc12
InChIInChI=1S/C13H8O3S/c14-8-3-4-11-9(6-8)10(7-16-11)13(15)12-2-1-5-17-12/h1-7,14H
InChIKeyWUVWVWAZLNEFCT-UHFFFAOYSA-N
XLogP3.43
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone (CID 674272) is (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1coc2ccc(O)cc12.
What is the InChIKey of (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
The InChIKey is WUVWVWAZLNEFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3S/c14-8-3-4-11-9(6-8)10(7-16-11)13(15)12-2-1-5-17-12/h1-7,14H.
What are the key properties of (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone?
(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone has a molecular weight of 244.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 674272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).