CID 174876749

C15H13O2Si — CID 174876749

IUPAC—
SMILESO=C(C[Si])Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13O2Si/c16-13(11-18)9-12-5-4-8-15(10-12)17-14-6-2-1-3-7-14/h1-8,10H,9,11H2
InChIKeyQXGKGBCRIVOXPI-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.18
Rot. Bonds5

About CID 174876749

CID 174876749 (PubChem CID 174876749) has the molecular formula C15H13O2Si and a molecular weight of 253.35 g/mol.

Molecular Properties

Compound NameCID 174876749
PubChem CID174876749
Molecular FormulaC15H13O2Si
Molecular Weight253.35 g/mol
Exact Mass253.07
IUPAC Name—
SMILESO=C(C[Si])Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H13O2Si/c16-13(11-18)9-12-5-4-8-15(10-12)17-14-6-2-1-3-7-14/h1-8,10H,9,11H2
InChIKeyQXGKGBCRIVOXPI-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174876749?
The IUPAC name of CID 174876749 (CID 174876749) is not available.
What is the SMILES notation for CID 174876749?
The canonical SMILES for CID 174876749 is O=C(C[Si])Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of CID 174876749?
The InChIKey is QXGKGBCRIVOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O2Si/c16-13(11-18)9-12-5-4-8-15(10-12)17-14-6-2-1-3-7-14/h1-8,10H,9,11H2.
What are the key properties of CID 174876749?
CID 174876749 has a molecular weight of 253.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174876749 is sourced from PubChem (CID 174876749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).