CID 67470092

C12H15NO2Si — CID 67470092

IUPAC—
SMILESC1=Cc2ccccc2ON1.C1CC[Si]OC1
InChIInChI=1S/C8H7NO.C4H8OSi/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-6-5-3-1/h1-6,9H;1-4H2
InChIKeyCOSUQUHNGIIABD-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.39
Rot. Bonds

About CID 67470092

CID 67470092 (PubChem CID 67470092) has the molecular formula C12H15NO2Si and a molecular weight of 233.34 g/mol.

Molecular Properties

Compound NameCID 67470092
PubChem CID67470092
Molecular FormulaC12H15NO2Si
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name—
SMILESC1=Cc2ccccc2ON1.C1CC[Si]OC1
InChIInChI=1S/C8H7NO.C4H8OSi/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-6-5-3-1/h1-6,9H;1-4H2
InChIKeyCOSUQUHNGIIABD-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67470092?
The IUPAC name of CID 67470092 (CID 67470092) is not available.
What is the SMILES notation for CID 67470092?
The canonical SMILES for CID 67470092 is C1=Cc2ccccc2ON1.C1CC[Si]OC1.
What is the InChIKey of CID 67470092?
The InChIKey is COSUQUHNGIIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C4H8OSi/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-6-5-3-1/h1-6,9H;1-4H2.
What are the key properties of CID 67470092?
CID 67470092 has a molecular weight of 233.34 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67470092 is sourced from PubChem (CID 67470092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).