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

C12H10O6S — CID 169334858

IUPAC2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
SMILESCOc1ccc(S(=O)(=O)O)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C12H10O6S/c1-17-8-3-5-12(19(14,15)16)10(6-8)11-4-2-9(7-13)18-11/h2-7H,1H3,(H,14,15,16)
InChIKeyAREOZKAPMTYTPP-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.01
Rot. Bonds4

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

2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid (PubChem CID 169334858) has the molecular formula C12H10O6S and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
PubChem CID169334858
Molecular FormulaC12H10O6S
Molecular Weight282.27 g/mol
Exact Mass282.02
IUPAC Name2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
SMILESCOc1ccc(S(=O)(=O)O)c(-c2ccc(C=O)o2)c1
InChIInChI=1S/C12H10O6S/c1-17-8-3-5-12(19(14,15)16)10(6-8)11-4-2-9(7-13)18-11/h2-7H,1H3,(H,14,15,16)
InChIKeyAREOZKAPMTYTPP-UHFFFAOYSA-N
XLogP2.01
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169332115
4-(5-formylfuran-2-yl)-2-hydroxybenzenesulfonic acid
CID 169334277
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335865
5-(6-methoxy-1H-indol-4-yl)furan-2-carbaldehyde
CID 169333714
5-(4-acetamidophenyl)-2-(5-formylfuran-2-yl)benzenesulfonic acid
CID 169334807
2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 169335250
2-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836011
3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
CID 169335175
5-(2-hydroxy-4,5-dimethylphenyl)furan-2-carbaldehyde
CID 169333294
4-(5-formylfuran-2-yl)-5-hydroxynaphthalene-2,7-disulfonic acid
CID 169331896
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid?
The IUPAC name of 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid (CID 169334858) is 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid?
The canonical SMILES for 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid is COc1ccc(S(=O)(=O)O)c(-c2ccc(C=O)o2)c1.
What is the InChIKey of 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid?
The InChIKey is AREOZKAPMTYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6S/c1-17-8-3-5-12(19(14,15)16)10(6-8)11-4-2-9(7-13)18-11/h2-7H,1H3,(H,14,15,16).
What are the key properties of 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid?
2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid has a molecular weight of 282.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid is sourced from PubChem (CID 169334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).