1,3-diphenylpropane-1,3-dione

C15H12O2 — CID 8433

IUPAC1,3-diphenylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyNZZIMKJIVMHWJC-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.14
Rot. Bonds4

About 1,3-diphenylpropane-1,3-dione

1,3-diphenylpropane-1,3-dione (PubChem CID 8433) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name1,3-diphenylpropane-1,3-dione
PubChem CID8433
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name1,3-diphenylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyNZZIMKJIVMHWJC-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-diphenylpropane-1,3-dione 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

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Anthraquinone
CID 6780
Vitamin K
CID 5280483
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
Phenindione
CID 4760
9,10-Phenanthrenedione
CID 6763
1-Phenyl-1-propanone
CID 7148

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropane-1,3-dione?
The IUPAC name of 1,3-diphenylpropane-1,3-dione (CID 8433) is 1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 1,3-diphenylpropane-1,3-dione is O=C(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropane-1,3-dione?
The InChIKey is NZZIMKJIVMHWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 1,3-diphenylpropane-1,3-dione?
1,3-diphenylpropane-1,3-dione has a molecular weight of 224.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 8433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).