4,4-diphenylcyclopentane-1,2-dione

C17H14O2 — CID 15724710

IUPAC4,4-diphenylcyclopentane-1,2-dione
SMILESO=C1CC(c2ccccc2)(c2ccccc2)CC1=O
InChIInChI=1S/C17H14O2/c18-15-11-17(12-16(15)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyVONXRFMHHNJZIG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.90
Rot. Bonds2

About 4,4-diphenylcyclopentane-1,2-dione

4,4-diphenylcyclopentane-1,2-dione (PubChem CID 15724710) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4,4-diphenylcyclopentane-1,2-dione.

Molecular Properties

Compound Name4,4-diphenylcyclopentane-1,2-dione
PubChem CID15724710
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name4,4-diphenylcyclopentane-1,2-dione
SMILESO=C1CC(c2ccccc2)(c2ccccc2)CC1=O
InChIInChI=1S/C17H14O2/c18-15-11-17(12-16(15)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyVONXRFMHHNJZIG-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
2,6-dioxo-4,4-diphenylcyclohexane-1-carboxamide
CID 67153697
1,1-diphenylcyclotetradecane
CID 175822005
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
3,7-ditert-butyl-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one
CID 7317113
5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
2-bromo-4,4-diphenylcyclohexan-1-one
CID 68684399
1-phenyladamantan-2-one
CID 14194605
[(3,3-diphenylcyclobutylidene)amino] benzoate
CID 11772212
(6R,7S)-6,7-diphenyl-5,8-dioxaspiro[2.6]nonane-4,9-dione
CID 139042269
4-(1-phenylcyclopropyl)benzoic acid
CID 19600113

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenylcyclopentane-1,2-dione?
The IUPAC name of 4,4-diphenylcyclopentane-1,2-dione (CID 15724710) is 4,4-diphenylcyclopentane-1,2-dione.
What is the SMILES notation for 4,4-diphenylcyclopentane-1,2-dione?
The canonical SMILES for 4,4-diphenylcyclopentane-1,2-dione is O=C1CC(c2ccccc2)(c2ccccc2)CC1=O.
What is the InChIKey of 4,4-diphenylcyclopentane-1,2-dione?
The InChIKey is VONXRFMHHNJZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-15-11-17(12-16(15)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 4,4-diphenylcyclopentane-1,2-dione?
4,4-diphenylcyclopentane-1,2-dione has a molecular weight of 250.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylcyclopentane-1,2-dione is sourced from PubChem (CID 15724710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).