[2-(methoxymethyl)phenyl]-diphenylstibane

C20H19OSb — CID 177437786

IUPAC[2-(methoxymethyl)phenyl]-diphenylstibane
SMILESCOCc1ccccc1[Sb](c1ccccc1)c1ccccc1
InChIInChI=1S/C8H9O.2C6H5.Sb/c1-9-7-8-5-3-2-4-6-8;2*1-2-4-6-5-3-1;/h2-5H,7H2,1H3;2*1-5H;
InChIKeyOAZLRNKMPTUROD-UHFFFAOYSA-N
MW397.13 g/mol
LogP2.35
Rot. Bonds5

About [2-(methoxymethyl)phenyl]-diphenylstibane

[2-(methoxymethyl)phenyl]-diphenylstibane (PubChem CID 177437786) has the molecular formula C20H19OSb and a molecular weight of 397.13 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-diphenylstibane.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-diphenylstibane
PubChem CID177437786
Molecular FormulaC20H19OSb
Molecular Weight397.13 g/mol
Exact Mass396.05
IUPAC Name[2-(methoxymethyl)phenyl]-diphenylstibane
SMILESCOCc1ccccc1[Sb](c1ccccc1)c1ccccc1
InChIInChI=1S/C8H9O.2C6H5.Sb/c1-9-7-8-5-3-2-4-6-8;2*1-2-4-6-5-3-1;/h2-5H,7H2,1H3;2*1-5H;
InChIKeyOAZLRNKMPTUROD-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.13
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(methoxymethyl)phenyl]-diphenylstibane 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 [2-(methoxymethyl)phenyl]-diphenylstibane?
The IUPAC name of [2-(methoxymethyl)phenyl]-diphenylstibane (CID 177437786) is [2-(methoxymethyl)phenyl]-diphenylstibane.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-diphenylstibane?
The canonical SMILES for [2-(methoxymethyl)phenyl]-diphenylstibane is COCc1ccccc1[Sb](c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-diphenylstibane?
The InChIKey is OAZLRNKMPTUROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.2C6H5.Sb/c1-9-7-8-5-3-2-4-6-8;2*1-2-4-6-5-3-1;/h2-5H,7H2,1H3;2*1-5H;.
What are the key properties of [2-(methoxymethyl)phenyl]-diphenylstibane?
[2-(methoxymethyl)phenyl]-diphenylstibane has a molecular weight of 397.13 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-diphenylstibane is sourced from PubChem (CID 177437786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).