2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one

C24H17FO — CID 71425669

IUPAC2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one
SMILESCC1=C(c2ccccc2F)C(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C24H17FO/c1-16-21(17-10-4-2-5-11-17)23(18-12-6-3-7-13-18)24(26)22(16)19-14-8-9-15-20(19)25/h2-15H,1H3
InChIKeyOZTHZIFYILAYTO-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.79
Rot. Bonds3

About 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one

2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one (PubChem CID 71425669) has the molecular formula C24H17FO and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one
PubChem CID71425669
Molecular FormulaC24H17FO
Molecular Weight340.40 g/mol
Exact Mass340.13
IUPAC Name2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one
SMILESCC1=C(c2ccccc2F)C(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C24H17FO/c1-16-21(17-10-4-2-5-11-17)23(18-12-6-3-7-13-18)24(26)22(16)19-14-8-9-15-20(19)25/h2-15H,1H3
InChIKeyOZTHZIFYILAYTO-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one (CID 71425669) is 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one is CC1=C(c2ccccc2F)C(=O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one?
The InChIKey is OZTHZIFYILAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FO/c1-16-21(17-10-4-2-5-11-17)23(18-12-6-3-7-13-18)24(26)22(16)19-14-8-9-15-20(19)25/h2-15H,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one?
2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one has a molecular weight of 340.40 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 71425669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).