(4-trihydroxysilylphenyl)methanesulfonic acid

C7H10O6SSi — CID 71403277

IUPAC(4-trihydroxysilylphenyl)methanesulfonic acid
SMILESO=S(=O)(O)Cc1ccc([Si](O)(O)O)cc1
InChIInChI=1S/C7H10O6SSi/c8-14(9,10)5-6-1-3-7(4-2-6)15(11,12)13/h1-4,11-13H,5H2,(H,8,9,10)
InChIKeyYLNKQSDBXPNRMX-UHFFFAOYSA-N
MW250.30 g/mol
LogP-1.80
Rot. Bonds3

About (4-trihydroxysilylphenyl)methanesulfonic acid

(4-trihydroxysilylphenyl)methanesulfonic acid (PubChem CID 71403277) has the molecular formula C7H10O6SSi and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-trihydroxysilylphenyl)methanesulfonic acid.

Molecular Properties

Compound Name(4-trihydroxysilylphenyl)methanesulfonic acid
PubChem CID71403277
Molecular FormulaC7H10O6SSi
Molecular Weight250.30 g/mol
Exact Mass250.00
IUPAC Name(4-trihydroxysilylphenyl)methanesulfonic acid
SMILESO=S(=O)(O)Cc1ccc([Si](O)(O)O)cc1
InChIInChI=1S/C7H10O6SSi/c8-14(9,10)5-6-1-3-7(4-2-6)15(11,12)13/h1-4,11-13H,5H2,(H,8,9,10)
InChIKeyYLNKQSDBXPNRMX-UHFFFAOYSA-N
XLogP-1.80
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-trihydroxysilylphenyl)methanesulfonic acid?
The IUPAC name of (4-trihydroxysilylphenyl)methanesulfonic acid (CID 71403277) is (4-trihydroxysilylphenyl)methanesulfonic acid.
What is the SMILES notation for (4-trihydroxysilylphenyl)methanesulfonic acid?
The canonical SMILES for (4-trihydroxysilylphenyl)methanesulfonic acid is O=S(=O)(O)Cc1ccc([Si](O)(O)O)cc1.
What is the InChIKey of (4-trihydroxysilylphenyl)methanesulfonic acid?
The InChIKey is YLNKQSDBXPNRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6SSi/c8-14(9,10)5-6-1-3-7(4-2-6)15(11,12)13/h1-4,11-13H,5H2,(H,8,9,10).
What are the key properties of (4-trihydroxysilylphenyl)methanesulfonic acid?
(4-trihydroxysilylphenyl)methanesulfonic acid has a molecular weight of 250.30 g/mol, XLogP of -1.80, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-trihydroxysilylphenyl)methanesulfonic acid is sourced from PubChem (CID 71403277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).