3-ethoxythiophene-2-carboxylic acid

C7H8O3S — CID 2777652

IUPAC3-ethoxythiophene-2-carboxylic acid
SMILESCCOc1ccsc1C(=O)O
InChIInChI=1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyFTKDCOINUAYGTC-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.85
Rot. Bonds3

About 3-ethoxythiophene-2-carboxylic acid

3-ethoxythiophene-2-carboxylic acid (PubChem CID 2777652) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-ethoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethoxythiophene-2-carboxylic acid
PubChem CID2777652
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name3-ethoxythiophene-2-carboxylic acid
SMILESCCOc1ccsc1C(=O)O
InChIInChI=1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyFTKDCOINUAYGTC-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxythiophene-2-carboxylic acid
CID 1483475
Methyl 3-ethoxythiophene-2-carboxylate
CID 2777650
3-Hydroxythiophene-2-carboxylic acid
CID 54715543
3-Hydroxy-thiophene-2-carboxylic acid methyl ester
CID 581127
3-[(4-Methylbenzyl)oxy]-2-thiophenecarboxylic acid
CID 1482497
Methyl 3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
CID 3567902
2-Thiophenecarboxylic acid, 3-hydroxy-, ethyl ester
CID 75095
3-(Carboxymethoxy)thiophene-2-carboxylic acid
CID 15588112
Methyl 3-(2-ethoxy-1-methyl-2-oxoethoxy)-2-thiophenecarboxylate
CID 3848343
Methyl 3-methoxythiophene-2-carboxylate
CID 701637
Methyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 587860
4-Methoxythiophene-2-carboxylic acid
CID 12646619

Frequently Asked Questions

What is the IUPAC name of 3-ethoxythiophene-2-carboxylic acid?
The IUPAC name of 3-ethoxythiophene-2-carboxylic acid (CID 2777652) is 3-ethoxythiophene-2-carboxylic acid.
What is the SMILES notation for 3-ethoxythiophene-2-carboxylic acid?
The canonical SMILES for 3-ethoxythiophene-2-carboxylic acid is CCOc1ccsc1C(=O)O.
What is the InChIKey of 3-ethoxythiophene-2-carboxylic acid?
The InChIKey is FTKDCOINUAYGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethoxythiophene-2-carboxylic acid?
3-ethoxythiophene-2-carboxylic acid has a molecular weight of 172.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxythiophene-2-carboxylic acid is sourced from PubChem (CID 2777652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).