4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid

C15H16O3S — CID 94285195

IUPAC4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
SMILESCCc1cc(-c2cc(C(=O)O)sc2C)ccc1OC
InChIInChI=1S/C15H16O3S/c1-4-10-7-11(5-6-13(10)18-3)12-8-14(15(16)17)19-9(12)2/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyIJKAPKKIKFNZBM-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.99
Rot. Bonds4

About 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid

4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 94285195) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
PubChem CID94285195
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
SMILESCCc1cc(-c2cc(C(=O)O)sc2C)ccc1OC
InChIInChI=1S/C15H16O3S/c1-4-10-7-11(5-6-13(10)18-3)12-8-14(15(16)17)19-9(12)2/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyIJKAPKKIKFNZBM-UHFFFAOYSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-methyl-4-phenylthiophene-2-carboxylate;5-methyl-4-phenylthiophene-2-carboxylic acid
CID 161205106
2-(3-ethyl-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886049
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylthiophene-2-carboxylic acid
CID 80724776
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858418
5-(3-ethyl-4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82295690
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
4-[(4-fluoro-3-methoxyanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103269179
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
(2R)-2-[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]-3-methylbutanoic acid
CID 122124270
[5-bromo-2-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 84608504
5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid
CID 7018688

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid (CID 94285195) is 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid is CCc1cc(-c2cc(C(=O)O)sc2C)ccc1OC.
What is the InChIKey of 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is IJKAPKKIKFNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-4-10-7-11(5-6-13(10)18-3)12-8-14(15(16)17)19-9(12)2/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 94285195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).