4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid

C9H12O3S — CID 80730360

IUPAC4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
SMILESCCOCc1cc(C(=O)O)sc1C
InChIInChI=1S/C9H12O3S/c1-3-12-5-7-4-8(9(10)11)13-6(7)2/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyMNLPKHHUUUPFEW-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.29
Rot. Bonds4

About 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid

4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 80730360) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
PubChem CID80730360
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid
SMILESCCOCc1cc(C(=O)O)sc1C
InChIInChI=1S/C9H12O3S/c1-3-12-5-7-4-8(9(10)11)13-6(7)2/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyMNLPKHHUUUPFEW-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethoxymethyl)-5-methylthiophene-2-carboxylic acid
CID 82005014
4-[[bis(2-ethoxyethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 82937516
5-methyl-4-(pentan-2-yloxymethyl)thiophene-2-carboxylic acid
CID 102980062
4-[(hydroxyamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103282710
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylthiophene-2-carboxylic acid
CID 80724776
5-methyl-4-[(phenylmethoxyamino)methyl]thiophene-2-carboxylic acid
CID 103254478
5-methyl-4-[(2-methylpropoxyamino)methyl]thiophene-2-carboxylic acid
CID 103261610
4-[(1-ethylpyrazol-4-yl)oxymethyl]-5-methylthiophene-2-carboxylic acid
CID 116800042
5-methyl-4-(pyridin-3-yloxymethyl)thiophene-2-carboxylic acid
CID 80730982
4-[(4-ethoxyanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103231765
4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 80731576
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728560

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid (CID 80730360) is 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid is CCOCc1cc(C(=O)O)sc1C.
What is the InChIKey of 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is MNLPKHHUUUPFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-3-12-5-7-4-8(9(10)11)13-6(7)2/h4H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid?
4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 80730360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).