5-(ethoxymethyl)thiophene-2-carboxylic acid

C8H10O3S — CID 63380038

IUPAC5-(ethoxymethyl)thiophene-2-carboxylic acid
SMILESCCOCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H10O3S/c1-2-11-5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKeyNWBLGZBCQSMFTC-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.98
Rot. Bonds4

About 5-(ethoxymethyl)thiophene-2-carboxylic acid

5-(ethoxymethyl)thiophene-2-carboxylic acid (PubChem CID 63380038) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 5-(ethoxymethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(ethoxymethyl)thiophene-2-carboxylic acid
PubChem CID63380038
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name5-(ethoxymethyl)thiophene-2-carboxylic acid
SMILESCCOCc1ccc(C(=O)O)s1
InChIInChI=1S/C8H10O3S/c1-2-11-5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKeyNWBLGZBCQSMFTC-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(ethoxymethyl)thiophene-2-carboxylic acid (CID 63380038) is 5-(ethoxymethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(ethoxymethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(ethoxymethyl)thiophene-2-carboxylic acid is CCOCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(ethoxymethyl)thiophene-2-carboxylic acid?
The InChIKey is NWBLGZBCQSMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-2-11-5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10).
What are the key properties of 5-(ethoxymethyl)thiophene-2-carboxylic acid?
5-(ethoxymethyl)thiophene-2-carboxylic acid has a molecular weight of 186.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63380038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).