3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid

C14H14O3S — CID 63797186

IUPAC3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid
SMILESCOCCc1ccc(-c2ccsc2C(=O)O)cc1
InChIInChI=1S/C14H14O3S/c1-17-8-6-10-2-4-11(5-3-10)12-7-9-18-13(12)14(15)16/h2-5,7,9H,6,8H2,1H3,(H,15,16)
InChIKeyQRWQLSZSMSKMLL-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.30
Rot. Bonds5

About 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid

3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 63797186) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID63797186
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid
SMILESCOCCc1ccc(-c2ccsc2C(=O)O)cc1
InChIInChI=1S/C14H14O3S/c1-17-8-6-10-2-4-11(5-3-10)12-7-9-18-13(12)14(15)16/h2-5,7,9H,6,8H2,1H3,(H,15,16)
InChIKeyQRWQLSZSMSKMLL-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid (CID 63797186) is 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid is COCCc1ccc(-c2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is QRWQLSZSMSKMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-17-8-6-10-2-4-11(5-3-10)12-7-9-18-13(12)14(15)16/h2-5,7,9H,6,8H2,1H3,(H,15,16).
What are the key properties of 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid?
3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63797186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).