4-(2-propoxyethoxy)thiophene-2-carboxylic acid

C10H14O4S — CID 106449466

IUPAC4-(2-propoxyethoxy)thiophene-2-carboxylic acid
SMILESCCCOCCOc1csc(C(=O)O)c1
InChIInChI=1S/C10H14O4S/c1-2-3-13-4-5-14-8-6-9(10(11)12)15-7-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyJDPDQJOMKLRPIY-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.25
Rot. Bonds7

About 4-(2-propoxyethoxy)thiophene-2-carboxylic acid

4-(2-propoxyethoxy)thiophene-2-carboxylic acid (PubChem CID 106449466) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-propoxyethoxy)thiophene-2-carboxylic acid
PubChem CID106449466
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name4-(2-propoxyethoxy)thiophene-2-carboxylic acid
SMILESCCCOCCOc1csc(C(=O)O)c1
InChIInChI=1S/C10H14O4S/c1-2-3-13-4-5-14-8-6-9(10(11)12)15-7-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyJDPDQJOMKLRPIY-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-propoxyethoxy)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-[2-(3-chlorophenoxy)ethoxy]thiophene-2-carboxylic acid
CID 66437353
4-[3-(carbamoylamino)-3-oxopropoxy]thiophene-2-carboxylic acid
CID 66439508
4-[2-(4-methylphenyl)sulfanylethoxy]thiophene-2-carboxylic acid
CID 66439319
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
CID 66439068
4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66439309
4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
CID 103132685
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-[(1-hydroxycyclohexyl)methoxy]thiophene-2-carboxylic acid
CID 66438211
4-(3-oxobutanoyloxy)thiophene-2-carboxylic acid
CID 174366885

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethoxy)thiophene-2-carboxylic acid?
The IUPAC name of 4-(2-propoxyethoxy)thiophene-2-carboxylic acid (CID 106449466) is 4-(2-propoxyethoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-propoxyethoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-propoxyethoxy)thiophene-2-carboxylic acid is CCCOCCOc1csc(C(=O)O)c1.
What is the InChIKey of 4-(2-propoxyethoxy)thiophene-2-carboxylic acid?
The InChIKey is JDPDQJOMKLRPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-2-3-13-4-5-14-8-6-9(10(11)12)15-7-8/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(2-propoxyethoxy)thiophene-2-carboxylic acid?
4-(2-propoxyethoxy)thiophene-2-carboxylic acid has a molecular weight of 230.28 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 106449466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).