CID 175508385

C15H17O2Si — CID 175508385

IUPAC—
SMILESCOc1ccc(-c2ccccc2)cc1O[Si](C)C
InChIInChI=1S/C15H17O2Si/c1-16-14-10-9-13(11-15(14)17-18(2)3)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyWMFCCSJSLXVOQV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.99
Rot. Bonds4

About CID 175508385

CID 175508385 (PubChem CID 175508385) has the molecular formula C15H17O2Si and a molecular weight of 257.38 g/mol.

Molecular Properties

Compound NameCID 175508385
PubChem CID175508385
Molecular FormulaC15H17O2Si
Molecular Weight257.38 g/mol
Exact Mass257.10
IUPAC Name—
SMILESCOc1ccc(-c2ccccc2)cc1O[Si](C)C
InChIInChI=1S/C15H17O2Si/c1-16-14-10-9-13(11-15(14)17-18(2)3)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyWMFCCSJSLXVOQV-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.99
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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CID 39231875
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CID 83666367
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CID 11368724
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Frequently Asked Questions

What is the IUPAC name of CID 175508385?
The IUPAC name of CID 175508385 (CID 175508385) is not available.
What is the SMILES notation for CID 175508385?
The canonical SMILES for CID 175508385 is COc1ccc(-c2ccccc2)cc1O[Si](C)C.
What is the InChIKey of CID 175508385?
The InChIKey is WMFCCSJSLXVOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O2Si/c1-16-14-10-9-13(11-15(14)17-18(2)3)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of CID 175508385?
CID 175508385 has a molecular weight of 257.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175508385 is sourced from PubChem (CID 175508385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).