2-benzoyl-3-phenylcyclopent-2-en-1-one

C18H14O2 — CID 15207511

IUPAC2-benzoyl-3-phenylcyclopent-2-en-1-one
SMILESO=C1CCC(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C18H14O2/c19-16-12-11-15(13-7-3-1-4-8-13)17(16)18(20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyZTGOBULEAXAUBM-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.69
Rot. Bonds3

About 2-benzoyl-3-phenylcyclopent-2-en-1-one

2-benzoyl-3-phenylcyclopent-2-en-1-one (PubChem CID 15207511) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-benzoyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-benzoyl-3-phenylcyclopent-2-en-1-one
PubChem CID15207511
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name2-benzoyl-3-phenylcyclopent-2-en-1-one
SMILESO=C1CCC(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C18H14O2/c19-16-12-11-15(13-7-3-1-4-8-13)17(16)18(20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyZTGOBULEAXAUBM-UHFFFAOYSA-N
XLogP3.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351
phenyl-(4-phenylphenyl)methanone
CID 155775877
diphenylmethanone
CID 3102
2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one
CID 11219667
4-benzoyl-5-phenyl(2,3-13C2)furan-2,3-dione
CID 11680721
(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
CID 9498278
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-benzoyl-3-phenylcyclopent-2-en-1-one (CID 15207511) is 2-benzoyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-benzoyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-benzoyl-3-phenylcyclopent-2-en-1-one is O=C1CCC(c2ccccc2)=C1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is ZTGOBULEAXAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-16-12-11-15(13-7-3-1-4-8-13)17(16)18(20)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-benzoyl-3-phenylcyclopent-2-en-1-one?
2-benzoyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 15207511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).