4-(2-hydroxyethyl)thiophene-3-carboxylic acid

C7H8O3S — CID 119086084

IUPAC4-(2-hydroxyethyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1CCO
InChIInChI=1S/C7H8O3S/c8-2-1-5-3-11-4-6(5)7(9)10/h3-4,8H,1-2H2,(H,9,10)
InChIKeyAMMAKKOXVOOCFR-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.98
Rot. Bonds3

About 4-(2-hydroxyethyl)thiophene-3-carboxylic acid

4-(2-hydroxyethyl)thiophene-3-carboxylic acid (PubChem CID 119086084) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)thiophene-3-carboxylic acid
PubChem CID119086084
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name4-(2-hydroxyethyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1CCO
InChIInChI=1S/C7H8O3S/c8-2-1-5-3-11-4-6(5)7(9)10/h3-4,8H,1-2H2,(H,9,10)
InChIKeyAMMAKKOXVOOCFR-UHFFFAOYSA-N
XLogP0.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethylthiophene-3-carboxylic acid
CID 818943
3,4-Dimethylthiophene-2-carboxylic acid
CID 19961023
4-Ethyl-5-methylthiophene-3-carboxylic acid
CID 3427251
4-(Carboxymethyl)thiophene-3-carboxylic acid
CID 12233093
2,4-Dimethylthiophene-3-carboxylic acid
CID 12993674
4-Tert-butylthiophene-3-carboxylic acid
CID 83233920
3-Ethenyl-4-methylthiophene-2-carboxylic acid
CID 165441134
3-Ethyl-4-methylthiophene-2-carboxylic acid
CID 67652645
4-Carboxy-3-thiopheneacetic ethyl ester
CID 12233072
4-(Hydroxymethyl)thiophene-2-carboxylic acid
CID 17867873
4-Ethylthiophene-3-carboxylic acid
CID 20322059
(3-Carboxy-4-ethyl-2-thienylthio)acetic acid
CID 129803808

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)thiophene-3-carboxylic acid (CID 119086084) is 4-(2-hydroxyethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)thiophene-3-carboxylic acid is O=C(O)c1cscc1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)thiophene-3-carboxylic acid?
The InChIKey is AMMAKKOXVOOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c8-2-1-5-3-11-4-6(5)7(9)10/h3-4,8H,1-2H2,(H,9,10).
What are the key properties of 4-(2-hydroxyethyl)thiophene-3-carboxylic acid?
4-(2-hydroxyethyl)thiophene-3-carboxylic acid has a molecular weight of 172.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 119086084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).