2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid

C16H18N2O4S — CID 158288860

IUPAC2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid
SMILESCS(=O)(=O)O.[H]/N=C(\N)c1c(O)cccc1C=Cc1ccccc1
InChIInChI=1S/C15H14N2O.CH4O3S/c16-15(17)14-12(7-4-8-13(14)18)10-9-11-5-2-1-3-6-11;1-5(2,3)4/h1-10,18H,(H3,16,17);1H3,(H,2,3,4)
InChIKeyGLCPYQKGDVCOOI-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.35
Rot. Bonds3

About 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid

2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid (PubChem CID 158288860) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid.

Molecular Properties

Compound Name2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid
PubChem CID158288860
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid
SMILESCS(=O)(=O)O.[H]/N=C(\N)c1c(O)cccc1C=Cc1ccccc1
InChIInChI=1S/C15H14N2O.CH4O3S/c16-15(17)14-12(7-4-8-13(14)18)10-9-11-5-2-1-3-6-11;1-5(2,3)4/h1-10,18H,(H3,16,17);1H3,(H,2,3,4)
InChIKeyGLCPYQKGDVCOOI-UHFFFAOYSA-N
XLogP2.35
TPSA124.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid?
The IUPAC name of 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid (CID 158288860) is 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid.
What is the SMILES notation for 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid?
The canonical SMILES for 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid is CS(=O)(=O)O.[H]/N=C(\N)c1c(O)cccc1C=Cc1ccccc1.
What is the InChIKey of 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid?
The InChIKey is GLCPYQKGDVCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.CH4O3S/c16-15(17)14-12(7-4-8-13(14)18)10-9-11-5-2-1-3-6-11;1-5(2,3)4/h1-10,18H,(H3,16,17);1H3,(H,2,3,4).
What are the key properties of 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid?
2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid has a molecular weight of 334.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2-phenylethenyl)benzenecarboximidamide;methanesulfonic acid is sourced from PubChem (CID 158288860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).