1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione

C18H16O2 — CID 63318739

IUPAC1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
SMILESO=C(CC(=O)C1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c19-17(12-18(20)16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeyDXXWCWJSAWUMKA-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.91
Rot. Bonds5

About 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione

1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione (PubChem CID 63318739) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
PubChem CID63318739
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
SMILESO=C(CC(=O)C1CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16O2/c19-17(12-18(20)16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKeyDXXWCWJSAWUMKA-UHFFFAOYSA-N
XLogP3.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.91
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-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride
CID 21193151
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146
1-(4-phenylphenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926027
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
ethane;2-methylidene-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 91379845
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
1-cyclopropyl-4-phenylbutane-1,3-dione
CID 19431038
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione?
The IUPAC name of 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione (CID 63318739) is 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione is O=C(CC(=O)C1CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione?
The InChIKey is DXXWCWJSAWUMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c19-17(12-18(20)16-10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-12H2.
What are the key properties of 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione?
1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione has a molecular weight of 264.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione is sourced from PubChem (CID 63318739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).