ethyl 4-methoxythiophene-3-carboxylate

C8H10O3S — CID 71721051

IUPACethyl 4-methoxythiophene-3-carboxylate
SMILESCCOC(=O)c1cscc1OC
InChIInChI=1S/C8H10O3S/c1-3-11-8(9)6-4-12-5-7(6)10-2/h4-5H,3H2,1-2H3
InChIKeyQMQQJHXGJGQYQM-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.93
Rot. Bonds3

About ethyl 4-methoxythiophene-3-carboxylate

ethyl 4-methoxythiophene-3-carboxylate (PubChem CID 71721051) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is ethyl 4-methoxythiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxythiophene-3-carboxylate
PubChem CID71721051
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Nameethyl 4-methoxythiophene-3-carboxylate
SMILESCCOC(=O)c1cscc1OC
InChIInChI=1S/C8H10O3S/c1-3-11-8(9)6-4-12-5-7(6)10-2/h4-5H,3H2,1-2H3
InChIKeyQMQQJHXGJGQYQM-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxythiophene-3-carboxylate?
The IUPAC name of ethyl 4-methoxythiophene-3-carboxylate (CID 71721051) is ethyl 4-methoxythiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxythiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methoxythiophene-3-carboxylate is CCOC(=O)c1cscc1OC.
What is the InChIKey of ethyl 4-methoxythiophene-3-carboxylate?
The InChIKey is QMQQJHXGJGQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-3-11-8(9)6-4-12-5-7(6)10-2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 4-methoxythiophene-3-carboxylate?
ethyl 4-methoxythiophene-3-carboxylate has a molecular weight of 186.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxythiophene-3-carboxylate is sourced from PubChem (CID 71721051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).