5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one

C20H12O4S — CID 127029801

IUPAC5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccc5c(c4)COC5=O)s3)ccc21
InChIInChI=1S/C20H12O4S/c21-19-15-3-1-11(7-13(15)9-23-19)17-5-6-18(25-17)12-2-4-16-14(8-12)10-24-20(16)22/h1-8H,9-10H2
InChIKeyCHNRCYWYURJXHQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.42
Rot. Bonds2

About 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one

5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one (PubChem CID 127029801) has the molecular formula C20H12O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
PubChem CID127029801
Molecular FormulaC20H12O4S
Molecular Weight348.38 g/mol
Exact Mass348.05
IUPAC Name5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(-c3ccc(-c4ccc5c(c4)COC5=O)s3)ccc21
InChIInChI=1S/C20H12O4S/c21-19-15-3-1-11(7-13(15)9-23-19)17-5-6-18(25-17)12-2-4-16-14(8-12)10-24-20(16)22/h1-8H,9-10H2
InChIKeyCHNRCYWYURJXHQ-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one (CID 127029801) is 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one is O=C1OCc2cc(-c3ccc(-c4ccc5c(c4)COC5=O)s3)ccc21.
What is the InChIKey of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
The InChIKey is CHNRCYWYURJXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12O4S/c21-19-15-3-1-11(7-13(15)9-23-19)17-5-6-18(25-17)12-2-4-16-14(8-12)10-24-20(16)22/h1-8H,9-10H2.
What are the key properties of 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one?
5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one has a molecular weight of 348.38 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 127029801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).