5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid

C12H8O5 — CID 825547

IUPAC5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid
SMILESO=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
InChIKeyCYEKBFDCMORSFM-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.16
Rot. Bonds3

About 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid

5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid (PubChem CID 825547) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid
PubChem CID825547
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid
SMILESO=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1
InChIInChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
InChIKeyCYEKBFDCMORSFM-UHFFFAOYSA-N
XLogP2.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-formylfuran-2-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid (CID 825547) is 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid is O=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1.
What is the InChIKey of 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid?
The InChIKey is CYEKBFDCMORSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16).
What are the key properties of 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid?
5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid has a molecular weight of 232.19 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 825547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).