2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one

C18H14O3 — CID 11219667

IUPAC2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one
SMILESO=C1CC(O)C(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C18H14O3/c19-14-11-15(20)17(16(14)12-7-3-1-4-8-12)18(21)13-9-5-2-6-10-13/h1-10,14,19H,11H2
InChIKeyYVWHRBSNAYQMKG-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.66
Rot. Bonds3

About 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one

2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one (PubChem CID 11219667) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one
PubChem CID11219667
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one
SMILESO=C1CC(O)C(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C18H14O3/c19-14-11-15(20)17(16(14)12-7-3-1-4-8-12)18(21)13-9-5-2-6-10-13/h1-10,14,19H,11H2
InChIKeyYVWHRBSNAYQMKG-UHFFFAOYSA-N
XLogP2.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzoyl-3-phenylcyclopent-2-en-1-one
CID 15207511
2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351
diphenylmethanone
CID 3102
phenyl-(4-phenylphenyl)methanone
CID 155775877
(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
CID 9498278
4-benzoyl-5-phenyl(2,3-13C2)furan-2,3-dione
CID 11680721
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one (CID 11219667) is 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one is O=C1CC(O)C(c2ccccc2)=C1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one?
The InChIKey is YVWHRBSNAYQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-14-11-15(20)17(16(14)12-7-3-1-4-8-12)18(21)13-9-5-2-6-10-13/h1-10,14,19H,11H2.
What are the key properties of 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one?
2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one has a molecular weight of 278.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 11219667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).