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

C14H14O3S — CID 83068115

IUPAC3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
SMILESCOc1c(C)cc(-c2ccsc2C(=O)O)cc1C
InChIInChI=1S/C14H14O3S/c1-8-6-10(7-9(2)12(8)17-3)11-4-5-18-13(11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyWYWSTNYYEWJFAC-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.74
Rot. Bonds3

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

3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid (PubChem CID 83068115) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
PubChem CID83068115
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
SMILESCOc1c(C)cc(-c2ccsc2C(=O)O)cc1C
InChIInChI=1S/C14H14O3S/c1-8-6-10(7-9(2)12(8)17-3)11-4-5-18-13(11)14(15)16/h4-7H,1-3H3,(H,15,16)
InChIKeyWYWSTNYYEWJFAC-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid (CID 83068115) is 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid is COc1c(C)cc(-c2ccsc2C(=O)O)cc1C.
What is the InChIKey of 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid?
The InChIKey is WYWSTNYYEWJFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-8-6-10(7-9(2)12(8)17-3)11-4-5-18-13(11)14(15)16/h4-7H,1-3H3,(H,15,16).
What are the key properties of 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid?
3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83068115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).