2-ethyl-1,3-diphenylpropane-1,3-dione

C17H16O2 — CID 10514968

IUPAC2-ethyl-1,3-diphenylpropane-1,3-dione
SMILESCCC(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-15(16(18)13-9-5-3-6-10-13)17(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyGDWNXHRQHMXRKK-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.78
Rot. Bonds5

About 2-ethyl-1,3-diphenylpropane-1,3-dione

2-ethyl-1,3-diphenylpropane-1,3-dione (PubChem CID 10514968) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-ethyl-1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name2-ethyl-1,3-diphenylpropane-1,3-dione
PubChem CID10514968
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-ethyl-1,3-diphenylpropane-1,3-dione
SMILESCCC(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-15(16(18)13-9-5-3-6-10-13)17(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyGDWNXHRQHMXRKK-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.78
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

sodium 2-benzoylbutanoate
CID 67926417
aluminum tris(2-benzoylbutanoate)
CID 157191981
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
2-(methylsulfanylmethyl)-1,3-diphenylpropane-1,3-dione
CID 12815430
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
2-(pyridine-4-carbonyl)butanoic acid
CID 53419303
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
2,3-dichloro-1-phenylpentan-1-one
CID 140666488
2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
CID 173016396
5-(aminomethyl)-2-ethyl-3-imino-4,6-dioxo-6-phenylhexanoic acid
CID 175238294
4-benzoylheptane-3,5-dione
CID 107431218
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-diphenylpropane-1,3-dione?
The IUPAC name of 2-ethyl-1,3-diphenylpropane-1,3-dione (CID 10514968) is 2-ethyl-1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 2-ethyl-1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 2-ethyl-1,3-diphenylpropane-1,3-dione is CCC(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-ethyl-1,3-diphenylpropane-1,3-dione?
The InChIKey is GDWNXHRQHMXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-15(16(18)13-9-5-3-6-10-13)17(19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-diphenylpropane-1,3-dione?
2-ethyl-1,3-diphenylpropane-1,3-dione has a molecular weight of 252.31 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 10514968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).