[2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate

C15H9ClO4S — CID 2529566

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1
InChIInChI=1S/C15H9ClO4S/c16-14-6-5-13(21-14)15(18)19-8-10(17)12-7-9-3-1-2-4-11(9)20-12/h1-7H,8H2
InChIKeyALWTYYGKTVBYRA-UHFFFAOYSA-N
MW320.75 g/mol
LogP4.19
Rot. Bonds4

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate (PubChem CID 2529566) has the molecular formula C15H9ClO4S and a molecular weight of 320.75 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
PubChem CID2529566
Molecular FormulaC15H9ClO4S
Molecular Weight320.75 g/mol
Exact Mass319.99
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1
InChIInChI=1S/C15H9ClO4S/c16-14-6-5-13(21-14)15(18)19-8-10(17)12-7-9-3-1-2-4-11(9)20-12/h1-7H,8H2
InChIKeyALWTYYGKTVBYRA-UHFFFAOYSA-N
XLogP4.19
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate (CID 2529566) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate is O=C(COC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
The InChIKey is ALWTYYGKTVBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO4S/c16-14-6-5-13(21-14)15(18)19-8-10(17)12-7-9-3-1-2-4-11(9)20-12/h1-7H,8H2.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate has a molecular weight of 320.75 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 2529566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).