acetyl(2-phenylethylidene)oxidanium

C10H10O2 — CID 102533685

IUPACacetyl(2-phenylethylidene)oxidanium
SMILESCC(=O)/[O+]=[C-]/Cc1ccccc1
InChIInChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKeyDCBBMLBTZUVTFA-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.42
Rot. Bonds2

About acetyl(2-phenylethylidene)oxidanium

acetyl(2-phenylethylidene)oxidanium (PubChem CID 102533685) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is acetyl(2-phenylethylidene)oxidanium.

Molecular Properties

Compound Nameacetyl(2-phenylethylidene)oxidanium
PubChem CID102533685
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Nameacetyl(2-phenylethylidene)oxidanium
SMILESCC(=O)/[O+]=[C-]/Cc1ccccc1
InChIInChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7H2,1H3
InChIKeyDCBBMLBTZUVTFA-UHFFFAOYSA-N
XLogP1.42
TPSA28.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze acetyl(2-phenylethylidene)oxidanium 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

benzyltin(3+) triacetate
CID 161126164
benzene;1-phenylpropan-2-one
CID 21430852
phenylmethanediazonium acetate
CID 162310066
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
butane-2,3-dione;ethylbenzene
CID 174875574
4-fluoro-1,5-diphenylhex-4-en-3-one
CID 57365966
(2S)-2-(dibenzylazaniumyl)propanoate
CID 42201076
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968
1-phenylhexane-2,5-dione
CID 10035428
acetic acid;phenylmethoxymethylbenzene
CID 175214238
acetic acid;ethane;ethylbenzene;methane
CID 159768897
potassium 2-amino-3-phenylpropanoate
CID 23692488

Frequently Asked Questions

What is the IUPAC name of acetyl(2-phenylethylidene)oxidanium?
The IUPAC name of acetyl(2-phenylethylidene)oxidanium (CID 102533685) is acetyl(2-phenylethylidene)oxidanium.
What is the SMILES notation for acetyl(2-phenylethylidene)oxidanium?
The canonical SMILES for acetyl(2-phenylethylidene)oxidanium is CC(=O)/[O+]=[C-]/Cc1ccccc1.
What is the InChIKey of acetyl(2-phenylethylidene)oxidanium?
The InChIKey is DCBBMLBTZUVTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7H2,1H3.
What are the key properties of acetyl(2-phenylethylidene)oxidanium?
acetyl(2-phenylethylidene)oxidanium has a molecular weight of 162.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl(2-phenylethylidene)oxidanium is sourced from PubChem (CID 102533685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).