5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid

C14H14O4S — CID 98021686

IUPAC5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cs2)c(OC)c1C
InChIInChI=1S/C14H14O4S/c1-8-11(17-2)5-4-10(13(8)18-3)12-6-9(7-19-12)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeySSOMQIXYWJCMCA-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.44
Rot. Bonds4

About 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid

5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 98021686) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
PubChem CID98021686
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)cs2)c(OC)c1C
InChIInChI=1S/C14H14O4S/c1-8-11(17-2)5-4-10(13(8)18-3)12-6-9(7-19-12)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeySSOMQIXYWJCMCA-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid (CID 98021686) is 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)cs2)c(OC)c1C.
What is the InChIKey of 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is SSOMQIXYWJCMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-8-11(17-2)5-4-10(13(8)18-3)12-6-9(7-19-12)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid?
5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 98021686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).