CID 21072158

C13H15O2Si — CID 21072158

IUPAC—
SMILESCO[Si](OC)c1ccccc1C1=CC=CC1
InChIInChI=1S/C13H15O2Si/c1-14-16(15-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h3-7,9-10H,8H2,1-2H3
InChIKeyKRIOVPDLNFLHHE-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.02
Rot. Bonds4

About CID 21072158

CID 21072158 (PubChem CID 21072158) has the molecular formula C13H15O2Si and a molecular weight of 231.35 g/mol.

Molecular Properties

Compound NameCID 21072158
PubChem CID21072158
Molecular FormulaC13H15O2Si
Molecular Weight231.35 g/mol
Exact Mass231.08
IUPAC Name—
SMILESCO[Si](OC)c1ccccc1C1=CC=CC1
InChIInChI=1S/C13H15O2Si/c1-14-16(15-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h3-7,9-10H,8H2,1-2H3
InChIKeyKRIOVPDLNFLHHE-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 21072158 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 21072158?
The IUPAC name of CID 21072158 (CID 21072158) is not available.
What is the SMILES notation for CID 21072158?
The canonical SMILES for CID 21072158 is CO[Si](OC)c1ccccc1C1=CC=CC1.
What is the InChIKey of CID 21072158?
The InChIKey is KRIOVPDLNFLHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O2Si/c1-14-16(15-2)13-10-6-5-9-12(13)11-7-3-4-8-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of CID 21072158?
CID 21072158 has a molecular weight of 231.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21072158 is sourced from PubChem (CID 21072158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).