3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid

C11H10O3S2 — CID 63774713

IUPAC3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCc1cccs1
InChIInChI=1S/C11H10O3S2/c12-11(13)10-9(4-7-16-10)14-5-3-8-2-1-6-15-8/h1-2,4,6-7H,3,5H2,(H,12,13)
InChIKeyBROCWRWKBZUFNG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds5

About 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid

3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid (PubChem CID 63774713) has the molecular formula C11H10O3S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
PubChem CID63774713
Molecular FormulaC11H10O3S2
Molecular Weight254.33 g/mol
Exact Mass254.01
IUPAC Name3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCc1cccs1
InChIInChI=1S/C11H10O3S2/c12-11(13)10-9(4-7-16-10)14-5-3-8-2-1-6-15-8/h1-2,4,6-7H,3,5H2,(H,12,13)
InChIKeyBROCWRWKBZUFNG-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethoxy)thiophene-2-carboxylic acid
CID 55203100
3-[2-[2-[2-[2-[2-(2-carboxythiophen-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]thiophene-2-carboxylic acid
CID 132917329
3-(3,3,3-trifluoropropoxy)thiophene-2-carboxylic acid
CID 64553522
3-but-3-ynoxythiophene-2-carboxylic acid
CID 63338399
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
3-(3-methylbut-3-enoxy)thiophene-2-carboxylic acid
CID 114471319
3-[2-(2,2,2-trifluoroethoxy)ethoxy]thiophene-2-carboxylic acid
CID 63336275
3-[3-(dimethylamino)butoxy]thiophene-2-carboxylic acid
CID 82037737
3-[2-(3-methylphenoxy)ethoxy]thiophene-2-carboxylic acid
CID 55201757
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
3-(3-methylbut-2-enoxy)thiophene-2-carboxylic acid
CID 63338354

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid (CID 63774713) is 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid is O=C(O)c1sccc1OCCc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid?
The InChIKey is BROCWRWKBZUFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S2/c12-11(13)10-9(4-7-16-10)14-5-3-8-2-1-6-15-8/h1-2,4,6-7H,3,5H2,(H,12,13).
What are the key properties of 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid?
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 63774713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).