3-ethylfuran-2-carboxylic acid

C7H8O3 — CID 11194378

IUPAC3-ethylfuran-2-carboxylic acid
SMILESCCc1ccoc1C(=O)O
InChIInChI=1S/C7H8O3/c1-2-5-3-4-10-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyQFTPOFZMJXKRRR-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.54
Rot. Bonds2

About 3-ethylfuran-2-carboxylic acid

3-ethylfuran-2-carboxylic acid (PubChem CID 11194378) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-ethylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-ethylfuran-2-carboxylic acid
PubChem CID11194378
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name3-ethylfuran-2-carboxylic acid
SMILESCCc1ccoc1C(=O)O
InChIInChI=1S/C7H8O3/c1-2-5-3-4-10-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKeyQFTPOFZMJXKRRR-UHFFFAOYSA-N
XLogP1.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylfuran-2-carboxylic acid?
The IUPAC name of 3-ethylfuran-2-carboxylic acid (CID 11194378) is 3-ethylfuran-2-carboxylic acid.
What is the SMILES notation for 3-ethylfuran-2-carboxylic acid?
The canonical SMILES for 3-ethylfuran-2-carboxylic acid is CCc1ccoc1C(=O)O.
What is the InChIKey of 3-ethylfuran-2-carboxylic acid?
The InChIKey is QFTPOFZMJXKRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-2-5-3-4-10-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9).
What are the key properties of 3-ethylfuran-2-carboxylic acid?
3-ethylfuran-2-carboxylic acid has a molecular weight of 140.14 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylfuran-2-carboxylic acid is sourced from PubChem (CID 11194378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).