3-(2-phenylethoxy)thiophene-2-carboxylic acid

C13H12O3S — CID 55203100

IUPAC3-(2-phenylethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCc1ccccc1
InChIInChI=1S/C13H12O3S/c14-13(15)12-11(7-9-17-12)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,14,15)
InChIKeyFBYNXERXVBJIJF-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.07
Rot. Bonds5

About 3-(2-phenylethoxy)thiophene-2-carboxylic acid

3-(2-phenylethoxy)thiophene-2-carboxylic acid (PubChem CID 55203100) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-(2-phenylethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethoxy)thiophene-2-carboxylic acid
PubChem CID55203100
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name3-(2-phenylethoxy)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1OCCc1ccccc1
InChIInChI=1S/C13H12O3S/c14-13(15)12-11(7-9-17-12)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,14,15)
InChIKeyFBYNXERXVBJIJF-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-(3-methylbut-3-enoxy)thiophene-2-carboxylic acid
CID 114471319
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
3-(2-phenylethoxy)thiophene-2-carbonitrile
CID 91416363
3-[3-(dimethylamino)butoxy]thiophene-2-carboxylic acid
CID 82037737
3-[2-(2,2,2-trifluoroethoxy)ethoxy]thiophene-2-carboxylic acid
CID 63336275
3-(3-phenylprop-2-ynoxy)thiophene-2-carboxylic acid
CID 55202524
3-[2-(3-methylphenoxy)ethoxy]thiophene-2-carboxylic acid
CID 55201757
3-[3-(2-fluoroanilino)-3-oxopropoxy]thiophene-2-carboxylic acid
CID 63336040
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2-phenylethoxy)thiophene-2-carboxylic acid (CID 55203100) is 3-(2-phenylethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-phenylethoxy)thiophene-2-carboxylic acid is O=C(O)c1sccc1OCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethoxy)thiophene-2-carboxylic acid?
The InChIKey is FBYNXERXVBJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c14-13(15)12-11(7-9-17-12)16-8-6-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,14,15).
What are the key properties of 3-(2-phenylethoxy)thiophene-2-carboxylic acid?
3-(2-phenylethoxy)thiophene-2-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 55203100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).