4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid

C14H14O2S — CID 7018632

IUPAC4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)O)sc1-c1ccc(C)cc1
InChIInChI=1S/C14H14O2S/c1-3-10-8-12(14(15)16)17-13(10)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyKUUFNHKWKCKRDQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.98
Rot. Bonds3

About 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid

4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 7018632) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid
PubChem CID7018632
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid
SMILESCCc1cc(C(=O)O)sc1-c1ccc(C)cc1
InChIInChI=1S/C14H14O2S/c1-3-10-8-12(14(15)16)17-13(10)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyKUUFNHKWKCKRDQ-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid (CID 7018632) is 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid is CCc1cc(C(=O)O)sc1-c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is KUUFNHKWKCKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-10-8-12(14(15)16)17-13(10)11-6-4-9(2)5-7-11/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid?
4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 7018632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).