3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one

C20H16O2 — CID 14170822

IUPAC3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one
SMILESCC(=O)C1=C(c2ccccc2)C(=O)C(c2ccccc2)=C1C
InChIInChI=1S/C20H16O2/c1-13-17(14(2)21)19(16-11-7-4-8-12-16)20(22)18(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyIXARNPSZFIRRPJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.09
Rot. Bonds3

About 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one

3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one (PubChem CID 14170822) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one
PubChem CID14170822
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one
SMILESCC(=O)C1=C(c2ccccc2)C(=O)C(c2ccccc2)=C1C
InChIInChI=1S/C20H16O2/c1-13-17(14(2)21)19(16-11-7-4-8-12-16)20(22)18(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKeyIXARNPSZFIRRPJ-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
CID 139975422
2-acetyl-3-(4-bromophenyl)naphthalene-1,4-dione
CID 1072148
2-methyl-3-phenylinden-1-one
CID 2750462
5-acetyl-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 10681851
2,5-bis(3,5-dimethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 142347274
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
3-(2-hydroxy-2-methylpropyl)-2-methyl-5-oxo-4-phenylcyclopenta-1,3-diene-1-carboxylic acid
CID 90487460
2-(4-methylphenyl)-5-[3-[4-(4-methylphenyl)-5-oxo-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 10771140
ethyl 4,5-bis(2,4-dimethylphenyl)-3-oxo-2-phenylcyclopenta-1,4-diene-1-carboxylate
CID 102235999
2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one
CID 71425669

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one (CID 14170822) is 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one is CC(=O)C1=C(c2ccccc2)C(=O)C(c2ccccc2)=C1C.
What is the InChIKey of 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one?
The InChIKey is IXARNPSZFIRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-13-17(14(2)21)19(16-11-7-4-8-12-16)20(22)18(13)15-9-5-3-6-10-15/h3-12H,1-2H3.
What are the key properties of 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one?
3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 14170822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).