CID 15822890

C13H11ISi — CID 15822890

IUPAC—
SMILESI[Si]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ISi/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyWHOBZYWLYRGOEO-UHFFFAOYSA-N
MW322.22 g/mol
LogP3.83
Rot. Bonds3

About CID 15822890

CID 15822890 (PubChem CID 15822890) has the molecular formula C13H11ISi and a molecular weight of 322.22 g/mol.

Molecular Properties

Compound NameCID 15822890
PubChem CID15822890
Molecular FormulaC13H11ISi
Molecular Weight322.22 g/mol
Exact Mass321.97
IUPAC Name—
SMILESI[Si]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ISi/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyWHOBZYWLYRGOEO-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 23498043
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CID 19973573
1,2-diphenylethane-1,2-diol
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CID 14066931
(2S)-2-iodo-2-phenylacetic acid
CID 142067651
CID 67414527
CID 67414527
(2S)-2-amino-3-iodo-3-phenylpropanoic acid
CID 69344520
(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647

Frequently Asked Questions

What is the IUPAC name of CID 15822890?
The IUPAC name of CID 15822890 (CID 15822890) is not available.
What is the SMILES notation for CID 15822890?
The canonical SMILES for CID 15822890 is I[Si]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 15822890?
The InChIKey is WHOBZYWLYRGOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ISi/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of CID 15822890?
CID 15822890 has a molecular weight of 322.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15822890 is sourced from PubChem (CID 15822890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).