[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate

C22H16O4S — CID 24619325

IUPAC[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1
InChIInChI=1S/C22H16O4S/c1-2-14-8-10-20(27-14)19(23)12-26-22(25)13-7-9-16-15-5-3-4-6-17(15)21(24)18(16)11-13/h3-11H,2,12H2,1H3
InChIKeyKLXITJAQGRQLPY-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.56
Rot. Bonds5

About [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate

[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate (PubChem CID 24619325) has the molecular formula C22H16O4S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate.

Molecular Properties

Compound Name[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate
PubChem CID24619325
Molecular FormulaC22H16O4S
Molecular Weight376.43 g/mol
Exact Mass376.08
IUPAC Name[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1
InChIInChI=1S/C22H16O4S/c1-2-14-8-10-20(27-14)19(23)12-26-22(25)13-7-9-16-15-5-3-4-6-17(15)21(24)18(16)11-13/h3-11H,2,12H2,1H3
InChIKeyKLXITJAQGRQLPY-UHFFFAOYSA-N
XLogP4.56
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 9-oxofluorene-2-carboxylate
CID 24619322
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 2640568
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
methoxymethyl 9,10-dioxoanthracene-2-carboxylate
CID 20798432
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 18169782
hexyl 9,10-dioxoanthracene-2-carboxylate
CID 19860034
octyl 9,10-dioxoanthracene-2-carboxylate
CID 4522297
undecyl 9,10-dioxoanthracene-2-carboxylate
CID 86120799
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 2-nitrobenzoate
CID 18194948
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
butan-2-yl 9,10-dioxoanthracene-2-carboxylate
CID 59414704
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 9-oxofluorene-2-carboxylate
CID 55505330

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate?
The IUPAC name of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate (CID 24619325) is [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate.
What is the SMILES notation for [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate?
The canonical SMILES for [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate is CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1.
What is the InChIKey of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate?
The InChIKey is KLXITJAQGRQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4S/c1-2-14-8-10-20(27-14)19(23)12-26-22(25)13-7-9-16-15-5-3-4-6-17(15)21(24)18(16)11-13/h3-11H,2,12H2,1H3.
What are the key properties of [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate?
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 9-oxofluorene-2-carboxylate is sourced from PubChem (CID 24619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).