2,4-diphenylcyclopent-2-en-1-one

C17H14O — CID 14147527

IUPAC2,4-diphenylcyclopent-2-en-1-one
SMILESO=C1CC(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C17H14O/c18-17-12-15(13-7-3-1-4-8-13)11-16(17)14-9-5-2-6-10-14/h1-11,15H,12H2
InChIKeyHTHQJAPXGRBADR-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.83
Rot. Bonds2

About 2,4-diphenylcyclopent-2-en-1-one

2,4-diphenylcyclopent-2-en-1-one (PubChem CID 14147527) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,4-diphenylcyclopent-2-en-1-one
PubChem CID14147527
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name2,4-diphenylcyclopent-2-en-1-one
SMILESO=C1CC(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C17H14O/c18-17-12-15(13-7-3-1-4-8-13)11-16(17)14-9-5-2-6-10-14/h1-11,15H,12H2
InChIKeyHTHQJAPXGRBADR-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(phenoxymethyl)-2-phenylcyclopent-2-en-1-one
CID 11021760
(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
CID 11608201
2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
1-fluoro-3-methyl-5-phenylcyclohexa-1,3-diene
CID 163813162
(4-phenylcyclopenta-1,2-dien-1-yl)benzene
CID 57222189
(5R)-5-[dimethyl(phenyl)silyl]-2-phenylcyclohex-2-en-1-one
CID 102411598
2,4-dimethyl-3-phenylcyclopent-2-en-1-one
CID 14758486
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
5-phenyloxolane-2,3-dione
CID 14450727
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
6-methyl-4-phenylcyclodec-5-en-1-one
CID 91670765
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylcyclopent-2-en-1-one?
The IUPAC name of 2,4-diphenylcyclopent-2-en-1-one (CID 14147527) is 2,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for 2,4-diphenylcyclopent-2-en-1-one?
The canonical SMILES for 2,4-diphenylcyclopent-2-en-1-one is O=C1CC(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 2,4-diphenylcyclopent-2-en-1-one?
The InChIKey is HTHQJAPXGRBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-17-12-15(13-7-3-1-4-8-13)11-16(17)14-9-5-2-6-10-14/h1-11,15H,12H2.
What are the key properties of 2,4-diphenylcyclopent-2-en-1-one?
2,4-diphenylcyclopent-2-en-1-one has a molecular weight of 234.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 14147527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).