stilbene;sulfuric acid

C14H14O4S — CID 67612140

IUPACstilbene;sulfuric acid
SMILESC(=Cc1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C14H12.H2O4S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-5(2,3)4/h1-12H;(H2,1,2,3,4)
InChIKeyWUHLAEIXWQPURI-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.20
Rot. Bonds2

About stilbene;sulfuric acid

stilbene;sulfuric acid (PubChem CID 67612140) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is stilbene;sulfuric acid.

Molecular Properties

Compound Namestilbene;sulfuric acid
PubChem CID67612140
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namestilbene;sulfuric acid
SMILESC(=Cc1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C14H12.H2O4S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-5(2,3)4/h1-12H;(H2,1,2,3,4)
InChIKeyWUHLAEIXWQPURI-UHFFFAOYSA-N
XLogP3.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenoxy]benzene;sulfuric acid
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hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
[4-(2-phenylethenyl)phenyl] hydrogen sulfate
CID 175093290
CID 70569152
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acetic acid;stilbene
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2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
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disodium;hydride;(E)-stilbene
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hydride;rubidium(1+);stilbene
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Frequently Asked Questions

What is the IUPAC name of stilbene;sulfuric acid?
The IUPAC name of stilbene;sulfuric acid (CID 67612140) is stilbene;sulfuric acid.
What is the SMILES notation for stilbene;sulfuric acid?
The canonical SMILES for stilbene;sulfuric acid is C(=Cc1ccccc1)c1ccccc1.O=S(=O)(O)O.
What is the InChIKey of stilbene;sulfuric acid?
The InChIKey is WUHLAEIXWQPURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.H2O4S/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-5(2,3)4/h1-12H;(H2,1,2,3,4).
What are the key properties of stilbene;sulfuric acid?
stilbene;sulfuric acid has a molecular weight of 278.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for stilbene;sulfuric acid is sourced from PubChem (CID 67612140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).