4-(methoxymethyl)thiophene-2-carboxylic acid

C7H8O3S — CID 15007381

IUPAC4-(methoxymethyl)thiophene-2-carboxylic acid
SMILESCOCc1csc(C(=O)O)c1
InChIInChI=1S/C7H8O3S/c1-10-3-5-2-6(7(8)9)11-4-5/h2,4H,3H2,1H3,(H,8,9)
InChIKeyDXFUEEMJYGBLKZ-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.59
Rot. Bonds3

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

4-(methoxymethyl)thiophene-2-carboxylic acid (PubChem CID 15007381) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 4-(methoxymethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)thiophene-2-carboxylic acid
PubChem CID15007381
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name4-(methoxymethyl)thiophene-2-carboxylic acid
SMILESCOCc1csc(C(=O)O)c1
InChIInChI=1S/C7H8O3S/c1-10-3-5-2-6(7(8)9)11-4-5/h2,4H,3H2,1H3,(H,8,9)
InChIKeyDXFUEEMJYGBLKZ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-thenoic acid
CID 90269
3-Thiophenecarboxylic acid, 5-methyl-
CID 209069
Methyl thenoate
CID 79340
4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
4-Methylthiophene-2-carboxylic acid
CID 2794584
Ethyl 2-thenoate
CID 76052
4-(Difluoromethyl)thiophene-2-carboxylic acid
CID 132091077
Thiophene-2,4-dicarboxylic acid
CID 255851
4-Ethyl-5-methylthiophene-2-carboxylic acid
CID 2512481
4-Ethylthiophene-2-carboxylic acid
CID 18938079
5-Acetyl-3-thiophenecarboxylic acid
CID 6484122
Methyl 3-methylthiophene-2-carboxylate
CID 580757

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)thiophene-2-carboxylic acid (CID 15007381) is 4-(methoxymethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)thiophene-2-carboxylic acid is COCc1csc(C(=O)O)c1.
What is the InChIKey of 4-(methoxymethyl)thiophene-2-carboxylic acid?
The InChIKey is DXFUEEMJYGBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-10-3-5-2-6(7(8)9)11-4-5/h2,4H,3H2,1H3,(H,8,9).
What are the key properties of 4-(methoxymethyl)thiophene-2-carboxylic acid?
4-(methoxymethyl)thiophene-2-carboxylic acid has a molecular weight of 172.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 15007381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).