(2-formylphenyl) (E)-2-phenylethenesulfonate

C15H12O4S — CID 47104055

IUPAC(2-formylphenyl) (E)-2-phenylethenesulfonate
SMILESO=Cc1ccccc1OS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H12O4S/c16-12-14-8-4-5-9-15(14)19-20(17,18)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+
InChIKeyRARMIFNGADNOCX-ZHACJKMWSA-N
MW288.32 g/mol
LogP2.88
Rot. Bonds5

About (2-formylphenyl) (E)-2-phenylethenesulfonate

(2-formylphenyl) (E)-2-phenylethenesulfonate (PubChem CID 47104055) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is (2-formylphenyl) (E)-2-phenylethenesulfonate.

Molecular Properties

Compound Name(2-formylphenyl) (E)-2-phenylethenesulfonate
PubChem CID47104055
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name(2-formylphenyl) (E)-2-phenylethenesulfonate
SMILESO=Cc1ccccc1OS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H12O4S/c16-12-14-8-4-5-9-15(14)19-20(17,18)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+
InChIKeyRARMIFNGADNOCX-ZHACJKMWSA-N
XLogP2.88
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl) (E)-2-phenylethenesulfonate?
The IUPAC name of (2-formylphenyl) (E)-2-phenylethenesulfonate (CID 47104055) is (2-formylphenyl) (E)-2-phenylethenesulfonate.
What is the SMILES notation for (2-formylphenyl) (E)-2-phenylethenesulfonate?
The canonical SMILES for (2-formylphenyl) (E)-2-phenylethenesulfonate is O=Cc1ccccc1OS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (2-formylphenyl) (E)-2-phenylethenesulfonate?
The InChIKey is RARMIFNGADNOCX-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12O4S/c16-12-14-8-4-5-9-15(14)19-20(17,18)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+.
What are the key properties of (2-formylphenyl) (E)-2-phenylethenesulfonate?
(2-formylphenyl) (E)-2-phenylethenesulfonate has a molecular weight of 288.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl) (E)-2-phenylethenesulfonate is sourced from PubChem (CID 47104055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).