ethyl 2-(2-thiophen-2-ylpropoxy)propanoate

C12H18O3S — CID 142657423

IUPACethyl 2-(2-thiophen-2-ylpropoxy)propanoate
SMILESCCOC(=O)C(C)OCC(C)c1cccs1
InChIInChI=1S/C12H18O3S/c1-4-14-12(13)10(3)15-8-9(2)11-6-5-7-16-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyOAVGVXGKRRTHIJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.82
Rot. Bonds6

About ethyl 2-(2-thiophen-2-ylpropoxy)propanoate

ethyl 2-(2-thiophen-2-ylpropoxy)propanoate (PubChem CID 142657423) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(2-thiophen-2-ylpropoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-thiophen-2-ylpropoxy)propanoate
PubChem CID142657423
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Nameethyl 2-(2-thiophen-2-ylpropoxy)propanoate
SMILESCCOC(=O)C(C)OCC(C)c1cccs1
InChIInChI=1S/C12H18O3S/c1-4-14-12(13)10(3)15-8-9(2)11-6-5-7-16-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyOAVGVXGKRRTHIJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-thiophen-2-ylpropoxy)propanoate?
The IUPAC name of ethyl 2-(2-thiophen-2-ylpropoxy)propanoate (CID 142657423) is ethyl 2-(2-thiophen-2-ylpropoxy)propanoate.
What is the SMILES notation for ethyl 2-(2-thiophen-2-ylpropoxy)propanoate?
The canonical SMILES for ethyl 2-(2-thiophen-2-ylpropoxy)propanoate is CCOC(=O)C(C)OCC(C)c1cccs1.
What is the InChIKey of ethyl 2-(2-thiophen-2-ylpropoxy)propanoate?
The InChIKey is OAVGVXGKRRTHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-4-14-12(13)10(3)15-8-9(2)11-6-5-7-16-11/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(2-thiophen-2-ylpropoxy)propanoate?
ethyl 2-(2-thiophen-2-ylpropoxy)propanoate has a molecular weight of 242.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-thiophen-2-ylpropoxy)propanoate is sourced from PubChem (CID 142657423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).