5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid

C15H16O3S — CID 98020174

IUPAC5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)cs2)c(C)c1C
InChIInChI=1S/C15H16O3S/c1-8-5-12(9(2)10(3)14(8)18-4)13-6-11(7-19-13)15(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyCKNCDROALDJGLX-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.05
Rot. Bonds3

About 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid

5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid (PubChem CID 98020174) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
PubChem CID98020174
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)cs2)c(C)c1C
InChIInChI=1S/C15H16O3S/c1-8-5-12(9(2)10(3)14(8)18-4)13-6-11(7-19-13)15(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyCKNCDROALDJGLX-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid (CID 98020174) is 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid is COc1c(C)cc(-c2cc(C(=O)O)cs2)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid?
The InChIKey is CKNCDROALDJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-8-5-12(9(2)10(3)14(8)18-4)13-6-11(7-19-13)15(16)17/h5-7H,1-4H3,(H,16,17).
What are the key properties of 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid?
5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 98020174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).