2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione

C18H16O3 — CID 11708930

IUPAC2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(O)(C(=O)c1ccccc1)C1CC1
InChIInChI=1S/C18H16O3/c19-16(13-7-3-1-4-8-13)18(21,15-11-12-15)17(20)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2
InChIKeyBIZUADAXGBXWJM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.89
Rot. Bonds5

About 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione

2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione (PubChem CID 11708930) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione
PubChem CID11708930
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(O)(C(=O)c1ccccc1)C1CC1
InChIInChI=1S/C18H16O3/c19-16(13-7-3-1-4-8-13)18(21,15-11-12-15)17(20)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2
InChIKeyBIZUADAXGBXWJM-UHFFFAOYSA-N
XLogP2.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-hydroxy-1,2-diphenylethanone
CID 69294173
2-(dioxiran-3-yl)-2-hydroxy-1,3-diphenylpropane-1,3-dione
CID 141151847
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
(2S,3S)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;hydrate
CID 130366077
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
CID 139798779
2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
CID 135075009
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
CID 57211596
CID 57211596
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
2-benzoylcyclopentane-1,3-dione
CID 15625879

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione?
The IUPAC name of 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione (CID 11708930) is 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione is O=C(c1ccccc1)C(O)(C(=O)c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione?
The InChIKey is BIZUADAXGBXWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-16(13-7-3-1-4-8-13)18(21,15-11-12-15)17(20)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2.
What are the key properties of 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione?
2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione has a molecular weight of 280.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 11708930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).