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

C13H12O3S — CID 3865966

IUPAC4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)sc2C)cc1
InChIInChI=1S/C13H12O3S/c1-8-11(7-12(17-8)13(14)15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)
InChIKeyLVMYIOZBPWDMAD-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.43
Rot. Bonds3

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

4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid (PubChem CID 3865966) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
PubChem CID3865966
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)sc2C)cc1
InChIInChI=1S/C13H12O3S/c1-8-11(7-12(17-8)13(14)15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)
InChIKeyLVMYIOZBPWDMAD-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid (CID 3865966) is 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid is COc1ccc(-c2cc(C(=O)O)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
The InChIKey is LVMYIOZBPWDMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-8-11(7-12(17-8)13(14)15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid?
4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 3865966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).