1-phenylethanone;bis(yttrium)

C8H7OY2- — CID 58212087

IUPAC1-phenylethanone;bis(yttrium)
SMILES[CH2-]C(=O)c1ccccc1.[Y].[Y]
InChIInChI=1S/C8H7O.2Y/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H2;;/q-1;;
InChIKeyIODOHWVOYKODAK-UHFFFAOYSA-N
MW296.95 g/mol
LogP1.70
Rot. Bonds1

About 1-phenylethanone;bis(yttrium)

1-phenylethanone;bis(yttrium) (PubChem CID 58212087) has the molecular formula C8H7OY2- and a molecular weight of 296.95 g/mol. Its IUPAC name is 1-phenylethanone;bis(yttrium).

Molecular Properties

Compound Name1-phenylethanone;bis(yttrium)
PubChem CID58212087
Molecular FormulaC8H7OY2-
Molecular Weight296.95 g/mol
Exact Mass296.86
IUPAC Name1-phenylethanone;bis(yttrium)
SMILES[CH2-]C(=O)c1ccccc1.[Y].[Y]
InChIInChI=1S/C8H7O.2Y/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H2;;/q-1;;
InChIKeyIODOHWVOYKODAK-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.95
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenylethanone;bis(yttrium) 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

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
diphenylmethanone
CID 3102
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
benzoic acid;zirconium
CID 173089080
diphenylmethanone;gold
CID 174931146
cyclodecapentaenecarboxylic acid;methane
CID 162272407
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanone;bis(yttrium)?
The IUPAC name of 1-phenylethanone;bis(yttrium) (CID 58212087) is 1-phenylethanone;bis(yttrium).
What is the SMILES notation for 1-phenylethanone;bis(yttrium)?
The canonical SMILES for 1-phenylethanone;bis(yttrium) is [CH2-]C(=O)c1ccccc1.[Y].[Y].
What is the InChIKey of 1-phenylethanone;bis(yttrium)?
The InChIKey is IODOHWVOYKODAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O.2Y/c1-7(9)8-5-3-2-4-6-8;;/h2-6H,1H2;;/q-1;;.
What are the key properties of 1-phenylethanone;bis(yttrium)?
1-phenylethanone;bis(yttrium) has a molecular weight of 296.95 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanone;bis(yttrium) is sourced from PubChem (CID 58212087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).