2-benzoyl-3-phenylcyclohex-2-en-1-one

C19H16O2 — CID 102055351

IUPAC2-benzoyl-3-phenylcyclohex-2-en-1-one
SMILESO=C1CCCC(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C19H16O2/c20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)19(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyPSDWEXPROVUEQV-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.08
Rot. Bonds3

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

2-benzoyl-3-phenylcyclohex-2-en-1-one (PubChem CID 102055351) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-benzoyl-3-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-benzoyl-3-phenylcyclohex-2-en-1-one
PubChem CID102055351
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name2-benzoyl-3-phenylcyclohex-2-en-1-one
SMILESO=C1CCCC(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C19H16O2/c20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)19(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyPSDWEXPROVUEQV-UHFFFAOYSA-N
XLogP4.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.08
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-phenylcyclopent-2-en-1-one
CID 15207511
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
phenyl-(4-phenylphenyl)methanone
CID 155775877
diphenylmethanone
CID 3102
2-benzoyl-4-hydroxy-3-phenylcyclopent-2-en-1-one
CID 11219667
(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
(2E)-2-phenacylidenecyclopentan-1-one
CID 67785446
(1Z)-1,2-diphenylcyclododecene
CID 5378897
3-amino-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one
CID 134426579
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-phenylcyclohex-2-en-1-one?
The IUPAC name of 2-benzoyl-3-phenylcyclohex-2-en-1-one (CID 102055351) is 2-benzoyl-3-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 2-benzoyl-3-phenylcyclohex-2-en-1-one?
The canonical SMILES for 2-benzoyl-3-phenylcyclohex-2-en-1-one is O=C1CCCC(c2ccccc2)=C1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-3-phenylcyclohex-2-en-1-one?
The InChIKey is PSDWEXPROVUEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-17-13-7-12-16(14-8-3-1-4-9-14)18(17)19(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 2-benzoyl-3-phenylcyclohex-2-en-1-one?
2-benzoyl-3-phenylcyclohex-2-en-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 102055351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).