4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid

C11H8O6S — CID 169334277

IUPAC4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid
SMILESO=Cc1ccc(-c2ccc(S(=O)(=O)O)c(O)c2)o1
InChIInChI=1S/C11H8O6S/c12-6-8-2-3-10(17-8)7-1-4-11(9(13)5-7)18(14,15)16/h1-6,13H,(H,14,15,16)
InChIKeySBDNHCVUAOWXEJ-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.71
Rot. Bonds3

About 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid

4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid (PubChem CID 169334277) has the molecular formula C11H8O6S and a molecular weight of 268.25 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid
PubChem CID169334277
Molecular FormulaC11H8O6S
Molecular Weight268.25 g/mol
Exact Mass268.00
IUPAC Name4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid
SMILESO=Cc1ccc(-c2ccc(S(=O)(=O)O)c(O)c2)o1
InChIInChI=1S/C11H8O6S/c12-6-8-2-3-10(17-8)7-1-4-11(9(13)5-7)18(14,15)16/h1-6,13H,(H,14,15,16)
InChIKeySBDNHCVUAOWXEJ-UHFFFAOYSA-N
XLogP1.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
CID 169334858
5-(5-formylfuran-2-yl)-N,N,2-trimethylbenzenesulfonamide
CID 169335264
5-(4-acetamidophenyl)-2-(5-formylfuran-2-yl)benzenesulfonic acid
CID 169334807
5-(3,5-dibromo-4-hydroxyphenyl)furan-2-carbaldehyde
CID 169332104
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
4-(5-formylfuran-2-yl)-5-hydroxynaphthalene-2,7-disulfonic acid
CID 169331896
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
CID 169331808
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid?
The IUPAC name of 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid (CID 169334277) is 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid?
The canonical SMILES for 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid is O=Cc1ccc(-c2ccc(S(=O)(=O)O)c(O)c2)o1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid?
The InChIKey is SBDNHCVUAOWXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O6S/c12-6-8-2-3-10(17-8)7-1-4-11(9(13)5-7)18(14,15)16/h1-6,13H,(H,14,15,16).
What are the key properties of 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid?
4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid has a molecular weight of 268.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid is sourced from PubChem (CID 169334277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).