CID 175450687

C6H6O3Si — CID 175450687

IUPAC—
SMILESO[Si]c1cccc(O)c1O
InChIInChI=1S/C6H6O3Si/c7-4-2-1-3-5(10-9)6(4)8/h1-3,7-9H
InChIKeyYJLHDBVMRGUFHC-UHFFFAOYSA-N
MW154.20 g/mol
LogP-0.67
Rot. Bonds1

About CID 175450687

CID 175450687 (PubChem CID 175450687) has the molecular formula C6H6O3Si and a molecular weight of 154.20 g/mol.

Molecular Properties

Compound NameCID 175450687
PubChem CID175450687
Molecular FormulaC6H6O3Si
Molecular Weight154.20 g/mol
Exact Mass154.01
IUPAC Name—
SMILESO[Si]c1cccc(O)c1O
InChIInChI=1S/C6H6O3Si/c7-4-2-1-3-5(10-9)6(4)8/h1-3,7-9H
InChIKeyYJLHDBVMRGUFHC-UHFFFAOYSA-N
XLogP-0.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 175450687 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 175450687?
The IUPAC name of CID 175450687 (CID 175450687) is not available.
What is the SMILES notation for CID 175450687?
The canonical SMILES for CID 175450687 is O[Si]c1cccc(O)c1O.
What is the InChIKey of CID 175450687?
The InChIKey is YJLHDBVMRGUFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3Si/c7-4-2-1-3-5(10-9)6(4)8/h1-3,7-9H.
What are the key properties of CID 175450687?
CID 175450687 has a molecular weight of 154.20 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175450687 is sourced from PubChem (CID 175450687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).