dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate

C14H12O5S — CID 11098312

IUPACdimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cc(O)cc(-c2cccs2)c1C(=O)OC
InChIInChI=1S/C14H12O5S/c1-18-13(16)10-7-8(15)6-9(11-4-3-5-20-11)12(10)14(17)19-2/h3-7,15H,1-2H3
InChIKeyUTBQVUNJIAPHMH-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.69
Rot. Bonds3

About dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate

dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate (PubChem CID 11098312) has the molecular formula C14H12O5S and a molecular weight of 292.31 g/mol. Its IUPAC name is dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
PubChem CID11098312
Molecular FormulaC14H12O5S
Molecular Weight292.31 g/mol
Exact Mass292.04
IUPAC Namedimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
SMILESCOC(=O)c1cc(O)cc(-c2cccs2)c1C(=O)OC
InChIInChI=1S/C14H12O5S/c1-18-13(16)10-7-8(15)6-9(11-4-3-5-20-11)12(10)14(17)19-2/h3-7,15H,1-2H3
InChIKeyUTBQVUNJIAPHMH-UHFFFAOYSA-N
XLogP2.69
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate (CID 11098312) is dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate is COC(=O)c1cc(O)cc(-c2cccs2)c1C(=O)OC.
What is the InChIKey of dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate?
The InChIKey is UTBQVUNJIAPHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5S/c1-18-13(16)10-7-8(15)6-9(11-4-3-5-20-11)12(10)14(17)19-2/h3-7,15H,1-2H3.
What are the key properties of dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate?
dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate is sourced from PubChem (CID 11098312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).