methyl 4-methoxythiophene-2-carboxylate

C7H8O3S — CID 12646620

IUPACmethyl 4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)cs1
InChIInChI=1S/C7H8O3S/c1-9-5-3-6(11-4-5)7(8)10-2/h3-4H,1-2H3
InChIKeyHCXYSDHMZUIGIF-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.54
Rot. Bonds2

About methyl 4-methoxythiophene-2-carboxylate

methyl 4-methoxythiophene-2-carboxylate (PubChem CID 12646620) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is methyl 4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxythiophene-2-carboxylate
PubChem CID12646620
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Namemethyl 4-methoxythiophene-2-carboxylate
SMILESCOC(=O)c1cc(OC)cs1
InChIInChI=1S/C7H8O3S/c1-9-5-3-6(11-4-5)7(8)10-2/h3-4H,1-2H3
InChIKeyHCXYSDHMZUIGIF-UHFFFAOYSA-N
XLogP1.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 4-methoxythiophene-2-carboxylate (CID 12646620) is methyl 4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 4-methoxythiophene-2-carboxylate is COC(=O)c1cc(OC)cs1.
What is the InChIKey of methyl 4-methoxythiophene-2-carboxylate?
The InChIKey is HCXYSDHMZUIGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-9-5-3-6(11-4-5)7(8)10-2/h3-4H,1-2H3.
What are the key properties of methyl 4-methoxythiophene-2-carboxylate?
methyl 4-methoxythiophene-2-carboxylate has a molecular weight of 172.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 12646620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).