5-(3-formylphenyl)furan-2-carboxylic acid

C12H8O4 — CID 4189539

IUPAC5-(3-formylphenyl)furan-2-carboxylic acid
SMILESO=Cc1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H8O4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-7H,(H,14,15)
InChIKeySXOFEMGZZUPVOF-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.46
Rot. Bonds3

About 5-(3-formylphenyl)furan-2-carboxylic acid

5-(3-formylphenyl)furan-2-carboxylic acid (PubChem CID 4189539) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is 5-(3-formylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-formylphenyl)furan-2-carboxylic acid
PubChem CID4189539
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Name5-(3-formylphenyl)furan-2-carboxylic acid
SMILESO=Cc1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H8O4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-7H,(H,14,15)
InChIKeySXOFEMGZZUPVOF-UHFFFAOYSA-N
XLogP2.46
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-formylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-formylphenyl)furan-2-carboxylic acid (CID 4189539) is 5-(3-formylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-formylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-formylphenyl)furan-2-carboxylic acid is O=Cc1cccc(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(3-formylphenyl)furan-2-carboxylic acid?
The InChIKey is SXOFEMGZZUPVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-7H,(H,14,15).
What are the key properties of 5-(3-formylphenyl)furan-2-carboxylic acid?
5-(3-formylphenyl)furan-2-carboxylic acid has a molecular weight of 216.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-formylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 4189539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).