[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C16H12O4S — CID 2336432

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H12O4S/c1-10-6-7-21-15(10)16(18)19-9-12(17)14-8-11-4-2-3-5-13(11)20-14/h2-8H,9H2,1H3
InChIKeyDGLJGXLEJKDJES-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.84
Rot. Bonds4

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2336432) has the molecular formula C16H12O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2336432
Molecular FormulaC16H12O4S
Molecular Weight300.34 g/mol
Exact Mass300.05
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H12O4S/c1-10-6-7-21-15(10)16(18)19-9-12(17)14-8-11-4-2-3-5-13(11)20-14/h2-8H,9H2,1H3
InChIKeyDGLJGXLEJKDJES-UHFFFAOYSA-N
XLogP3.84
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.84
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] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2336432) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is DGLJGXLEJKDJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4S/c1-10-6-7-21-15(10)16(18)19-9-12(17)14-8-11-4-2-3-5-13(11)20-14/h2-8H,9H2,1H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 3.84, 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] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2336432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).