10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline

C15H17NO2Si — CID 153310513

IUPAC10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline
SMILESCC(C)N1c2ccccc2[Si](O)(O)c2ccccc21
InChIInChI=1S/C15H17NO2Si/c1-11(2)16-12-7-3-5-9-14(12)19(17,18)15-10-6-4-8-13(15)16/h3-11,17-18H,1-2H3
InChIKeyBCQLEZBXDFYZHJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.09
Rot. Bonds1

About 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline

10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline (PubChem CID 153310513) has the molecular formula C15H17NO2Si and a molecular weight of 271.39 g/mol. Its IUPAC name is 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline
PubChem CID153310513
Molecular FormulaC15H17NO2Si
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline
SMILESCC(C)N1c2ccccc2[Si](O)(O)c2ccccc21
InChIInChI=1S/C15H17NO2Si/c1-11(2)16-12-7-3-5-9-14(12)19(17,18)15-10-6-4-8-13(15)16/h3-11,17-18H,1-2H3
InChIKeyBCQLEZBXDFYZHJ-UHFFFAOYSA-N
XLogP1.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline 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 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline?
The IUPAC name of 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline (CID 153310513) is 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline is CC(C)N1c2ccccc2[Si](O)(O)c2ccccc21.
What is the InChIKey of 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline?
The InChIKey is BCQLEZBXDFYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2Si/c1-11(2)16-12-7-3-5-9-14(12)19(17,18)15-10-6-4-8-13(15)16/h3-11,17-18H,1-2H3.
What are the key properties of 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline?
10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline has a molecular weight of 271.39 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dihydroxy-5-propan-2-ylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 153310513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).