potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione

C18H18KO2+ — CID 56948149

IUPACpotassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
SMILESCC(C)c1ccc(C(=O)CC(=O)c2ccccc2)cc1.[K+]
InChIInChI=1S/C18H18O2.K/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15;/h3-11,13H,12H2,1-2H3;/q;+1
InChIKeyKNUUIWISVDFDBD-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.27
Rot. Bonds5

About potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione

potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione (PubChem CID 56948149) has the molecular formula C18H18KO2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione.

Molecular Properties

Compound Namepotassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
PubChem CID56948149
Molecular FormulaC18H18KO2+
Molecular Weight305.44 g/mol
Exact Mass305.09
IUPAC Namepotassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
SMILESCC(C)c1ccc(C(=O)CC(=O)c2ccccc2)cc1.[K+]
InChIInChI=1S/C18H18O2.K/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15;/h3-11,13H,12H2,1-2H3;/q;+1
InChIKeyKNUUIWISVDFDBD-UHFFFAOYSA-N
XLogP1.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;methane;1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 159705023
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4,4-dimethoxy-1-(4-propan-2-ylphenyl)butane-1,3-dione
CID 55114433
2-benzylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639260
2-benzylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43218705
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084

Frequently Asked Questions

What is the IUPAC name of potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione?
The IUPAC name of potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione (CID 56948149) is potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione.
What is the SMILES notation for potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione?
The canonical SMILES for potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione is CC(C)c1ccc(C(=O)CC(=O)c2ccccc2)cc1.[K+].
What is the InChIKey of potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione?
The InChIKey is KNUUIWISVDFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2.K/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15;/h3-11,13H,12H2,1-2H3;/q;+1.
What are the key properties of potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione?
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione has a molecular weight of 305.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione is sourced from PubChem (CID 56948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).