acetic acid;diphenylstibane

C14H15O2Sb — CID 161354879

IUPACacetic acid;diphenylstibane
SMILESCC(=O)O.c1ccc([SbH]c2ccccc2)cc1
InChIInChI=1S/2C6H5.C2H4O2.Sb.H/c2*1-2-4-6-5-3-1;1-2(3)4;;/h2*1-5H;1H3,(H,3,4);;
InChIKeyVOKGWJNHLOEHGF-UHFFFAOYSA-N
MW337.03 g/mol
LogP1.16
Rot. Bonds2

About acetic acid;diphenylstibane

acetic acid;diphenylstibane (PubChem CID 161354879) has the molecular formula C14H15O2Sb and a molecular weight of 337.03 g/mol. Its IUPAC name is acetic acid;diphenylstibane.

Molecular Properties

Compound Nameacetic acid;diphenylstibane
PubChem CID161354879
Molecular FormulaC14H15O2Sb
Molecular Weight337.03 g/mol
Exact Mass336.01
IUPAC Nameacetic acid;diphenylstibane
SMILESCC(=O)O.c1ccc([SbH]c2ccccc2)cc1
InChIInChI=1S/2C6H5.C2H4O2.Sb.H/c2*1-2-4-6-5-3-1;1-2(3)4;;/h2*1-5H;1H3,(H,3,4);;
InChIKeyVOKGWJNHLOEHGF-UHFFFAOYSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.03
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetic acid;diphenylstibane with MolForge

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

Launch Full Analysis

Related Compounds

acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;phenol
CID 70537927
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
carbonic acid;1,2-diethylbenzene
CID 89388803
acetic acid;benzene;ethane;toluene
CID 90764441
acetic acid;toluene;hydrate
CID 158738724
acetic acid;1-phenylethanone
CID 159392478
phenyl acetate;hydroiodide
CID 172788123
ethaneperoxoic acid;toluene
CID 158922326
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814

Frequently Asked Questions

What is the IUPAC name of acetic acid;diphenylstibane?
The IUPAC name of acetic acid;diphenylstibane (CID 161354879) is acetic acid;diphenylstibane.
What is the SMILES notation for acetic acid;diphenylstibane?
The canonical SMILES for acetic acid;diphenylstibane is CC(=O)O.c1ccc([SbH]c2ccccc2)cc1.
What is the InChIKey of acetic acid;diphenylstibane?
The InChIKey is VOKGWJNHLOEHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C2H4O2.Sb.H/c2*1-2-4-6-5-3-1;1-2(3)4;;/h2*1-5H;1H3,(H,3,4);;.
What are the key properties of acetic acid;diphenylstibane?
acetic acid;diphenylstibane has a molecular weight of 337.03 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;diphenylstibane is sourced from PubChem (CID 161354879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).