CID 174308979

C6H6NO2Si — CID 174308979

IUPAC—
SMILESNc1cc(O[Si])ccc1O
InChIInChI=1S/C6H6NO2Si/c7-5-3-4(9-10)1-2-6(5)8/h1-3,8H,7H2
InChIKeyPWYMHWQZQAMEFT-UHFFFAOYSA-N
MW152.21 g/mol
LogP0.44
Rot. Bonds1

About CID 174308979

CID 174308979 (PubChem CID 174308979) has the molecular formula C6H6NO2Si and a molecular weight of 152.21 g/mol.

Molecular Properties

Compound NameCID 174308979
PubChem CID174308979
Molecular FormulaC6H6NO2Si
Molecular Weight152.21 g/mol
Exact Mass152.02
IUPAC Name—
SMILESNc1cc(O[Si])ccc1O
InChIInChI=1S/C6H6NO2Si/c7-5-3-4(9-10)1-2-6(5)8/h1-3,8H,7H2
InChIKeyPWYMHWQZQAMEFT-UHFFFAOYSA-N
XLogP0.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174308979?
The IUPAC name of CID 174308979 (CID 174308979) is not available.
What is the SMILES notation for CID 174308979?
The canonical SMILES for CID 174308979 is Nc1cc(O[Si])ccc1O.
What is the InChIKey of CID 174308979?
The InChIKey is PWYMHWQZQAMEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2Si/c7-5-3-4(9-10)1-2-6(5)8/h1-3,8H,7H2.
What are the key properties of CID 174308979?
CID 174308979 has a molecular weight of 152.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174308979 is sourced from PubChem (CID 174308979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).