4-ethenyl-3-phenylfuran-2-carboxylic acid

C13H10O3 — CID 23062333

IUPAC4-ethenyl-3-phenylfuran-2-carboxylic acid
SMILESC=Cc1coc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C13H10O3/c1-2-9-8-16-12(13(14)15)11(9)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,15)
InChIKeyWJKFIRWGXWCFPF-UHFFFAOYSA-N
MW214.22 g/mol
LogP3.29
Rot. Bonds3

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

4-ethenyl-3-phenylfuran-2-carboxylic acid (PubChem CID 23062333) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-ethenyl-3-phenylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-3-phenylfuran-2-carboxylic acid
PubChem CID23062333
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name4-ethenyl-3-phenylfuran-2-carboxylic acid
SMILESC=Cc1coc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C13H10O3/c1-2-9-8-16-12(13(14)15)11(9)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,15)
InChIKeyWJKFIRWGXWCFPF-UHFFFAOYSA-N
XLogP3.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-phenylfuran-2-carboxylic acid?
The IUPAC name of 4-ethenyl-3-phenylfuran-2-carboxylic acid (CID 23062333) is 4-ethenyl-3-phenylfuran-2-carboxylic acid.
What is the SMILES notation for 4-ethenyl-3-phenylfuran-2-carboxylic acid?
The canonical SMILES for 4-ethenyl-3-phenylfuran-2-carboxylic acid is C=Cc1coc(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 4-ethenyl-3-phenylfuran-2-carboxylic acid?
The InChIKey is WJKFIRWGXWCFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-2-9-8-16-12(13(14)15)11(9)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,15).
What are the key properties of 4-ethenyl-3-phenylfuran-2-carboxylic acid?
4-ethenyl-3-phenylfuran-2-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-phenylfuran-2-carboxylic acid is sourced from PubChem (CID 23062333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).