2,4-dioxo-5,5-diphenylpentanoic acid

C17H14O4 — CID 510864

IUPAC2,4-dioxo-5,5-diphenylpentanoic acid
SMILESO=C(O)C(=O)CC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-14(11-15(19)17(20)21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,20,21)
InChIKeyJOCHGVOUYRAZGQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.43
Rot. Bonds6

About 2,4-dioxo-5,5-diphenylpentanoic acid

2,4-dioxo-5,5-diphenylpentanoic acid (PubChem CID 510864) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,4-dioxo-5,5-diphenylpentanoic acid.

Molecular Properties

Compound Name2,4-dioxo-5,5-diphenylpentanoic acid
PubChem CID510864
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2,4-dioxo-5,5-diphenylpentanoic acid
SMILESO=C(O)C(=O)CC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O4/c18-14(11-15(19)17(20)21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,20,21)
InChIKeyJOCHGVOUYRAZGQ-UHFFFAOYSA-N
XLogP2.43
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-5,5-diphenylpentanoic acid?
The IUPAC name of 2,4-dioxo-5,5-diphenylpentanoic acid (CID 510864) is 2,4-dioxo-5,5-diphenylpentanoic acid.
What is the SMILES notation for 2,4-dioxo-5,5-diphenylpentanoic acid?
The canonical SMILES for 2,4-dioxo-5,5-diphenylpentanoic acid is O=C(O)C(=O)CC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dioxo-5,5-diphenylpentanoic acid?
The InChIKey is JOCHGVOUYRAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-14(11-15(19)17(20)21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,20,21).
What are the key properties of 2,4-dioxo-5,5-diphenylpentanoic acid?
2,4-dioxo-5,5-diphenylpentanoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-5,5-diphenylpentanoic acid is sourced from PubChem (CID 510864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).