3-ethyl-4-phenylfuran-2-carboxylic acid

C13H12O3 — CID 23062367

IUPAC3-ethyl-4-phenylfuran-2-carboxylic acid
SMILESCCc1c(-c2ccccc2)coc1C(=O)O
InChIInChI=1S/C13H12O3/c1-2-10-11(8-16-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyRFIKBOYMIQWVHH-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.21
Rot. Bonds3

About 3-ethyl-4-phenylfuran-2-carboxylic acid

3-ethyl-4-phenylfuran-2-carboxylic acid (PubChem CID 23062367) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-ethyl-4-phenylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-phenylfuran-2-carboxylic acid
PubChem CID23062367
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-ethyl-4-phenylfuran-2-carboxylic acid
SMILESCCc1c(-c2ccccc2)coc1C(=O)O
InChIInChI=1S/C13H12O3/c1-2-10-11(8-16-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)
InChIKeyRFIKBOYMIQWVHH-UHFFFAOYSA-N
XLogP3.21
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenylfuran-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-phenylfuran-2-carboxylic acid (CID 23062367) is 3-ethyl-4-phenylfuran-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-phenylfuran-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-phenylfuran-2-carboxylic acid is CCc1c(-c2ccccc2)coc1C(=O)O.
What is the InChIKey of 3-ethyl-4-phenylfuran-2-carboxylic acid?
The InChIKey is RFIKBOYMIQWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-10-11(8-16-12(10)13(14)15)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-4-phenylfuran-2-carboxylic acid?
3-ethyl-4-phenylfuran-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenylfuran-2-carboxylic acid is sourced from PubChem (CID 23062367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).