CID 175071394

C13H12OSi — CID 175071394

IUPAC—
SMILESCc1ccccc1[Si]c1ccc(O)cc1
InChIInChI=1S/C13H12OSi/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9,14H,1H3
InChIKeyJVWPGGNXLUCHBO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.36
Rot. Bonds2

About CID 175071394

CID 175071394 (PubChem CID 175071394) has the molecular formula C13H12OSi and a molecular weight of 212.32 g/mol.

Molecular Properties

Compound NameCID 175071394
PubChem CID175071394
Molecular FormulaC13H12OSi
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name—
SMILESCc1ccccc1[Si]c1ccc(O)cc1
InChIInChI=1S/C13H12OSi/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9,14H,1H3
InChIKeyJVWPGGNXLUCHBO-UHFFFAOYSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,2-xylene
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Frequently Asked Questions

What is the IUPAC name of CID 175071394?
The IUPAC name of CID 175071394 (CID 175071394) is not available.
What is the SMILES notation for CID 175071394?
The canonical SMILES for CID 175071394 is Cc1ccccc1[Si]c1ccc(O)cc1.
What is the InChIKey of CID 175071394?
The InChIKey is JVWPGGNXLUCHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OSi/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9,14H,1H3.
What are the key properties of CID 175071394?
CID 175071394 has a molecular weight of 212.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175071394 is sourced from PubChem (CID 175071394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).