3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid

C15H16O3S — CID 141018915

IUPAC3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid
SMILESCC(C)(C)c1ccc(Oc2ccsc2C(=O)O)cc1
InChIInChI=1S/C15H16O3S/c1-15(2,3)10-4-6-11(7-5-10)18-12-8-9-19-13(12)14(16)17/h4-9H,1-3H3,(H,16,17)
InChIKeyUGQRODSRZOZAKR-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.54
Rot. Bonds3

About 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid

3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid (PubChem CID 141018915) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid
PubChem CID141018915
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid
SMILESCC(C)(C)c1ccc(Oc2ccsc2C(=O)O)cc1
InChIInChI=1S/C15H16O3S/c1-15(2,3)10-4-6-11(7-5-10)18-12-8-9-19-13(12)14(16)17/h4-9H,1-3H3,(H,16,17)
InChIKeyUGQRODSRZOZAKR-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid (CID 141018915) is 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid is CC(C)(C)c1ccc(Oc2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid?
The InChIKey is UGQRODSRZOZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-15(2,3)10-4-6-11(7-5-10)18-12-8-9-19-13(12)14(16)17/h4-9H,1-3H3,(H,16,17).
What are the key properties of 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid?
3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 141018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).