Dibenzoylmethane

C15H12O2 — CID 8433

IUPAC1,3-diphenylpropane-1,3-dione
SMILESC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
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
MW224.25 g/mol
LogP3.10
Rot. Bonds4

About Dibenzoylmethane

Dibenzoylmethane (PubChem CID 8433) has the molecular formula C15H12O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound NameDibenzoylmethane
PubChem CID8433
Molecular FormulaC15H12O2
Molecular Weight224.25 g/mol
Exact Mass224.08
IUPAC Name1,3-diphenylpropane-1,3-dione
SMILESC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
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
XLogP3.10
TPSA34.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity243

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.10
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-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 Dibenzoylmethane?
The IUPAC name of Dibenzoylmethane (CID 8433) is 1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for Dibenzoylmethane?
The canonical SMILES for Dibenzoylmethane is C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.
What is the InChIKey of Dibenzoylmethane?
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 Dibenzoylmethane?
Dibenzoylmethane has a molecular weight of 224.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Dibenzoylmethane is sourced from PubChem (CID 8433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).