4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one

C24H25FO2 — CID 142808724

IUPAC4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one
SMILESCC1C(=O)C(c2ccc(F)cc2)=C(c2ccccc2)C1(O)C1CCCCC1
InChIInChI=1S/C24H25FO2/c1-16-23(26)21(17-12-14-20(25)15-13-17)22(18-8-4-2-5-9-18)24(16,27)19-10-6-3-7-11-19/h2,4-5,8-9,12-16,19,27H,3,6-7,10-11H2,1H3
InChIKeyDLSOVALYWHVBMT-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.27
Rot. Bonds3

About 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one

4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one (PubChem CID 142808724) has the molecular formula C24H25FO2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one
PubChem CID142808724
Molecular FormulaC24H25FO2
Molecular Weight364.46 g/mol
Exact Mass364.18
IUPAC Name4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one
SMILESCC1C(=O)C(c2ccc(F)cc2)=C(c2ccccc2)C1(O)C1CCCCC1
InChIInChI=1S/C24H25FO2/c1-16-23(26)21(17-12-14-20(25)15-13-17)22(18-8-4-2-5-9-18)24(16,27)19-10-6-3-7-11-19/h2,4-5,8-9,12-16,19,27H,3,6-7,10-11H2,1H3
InChIKeyDLSOVALYWHVBMT-UHFFFAOYSA-N
XLogP5.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mls002638215
CID 223673
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
CID 227383
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
CID 5290861
6,6,7,7-Tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one
CID 5290862
5-Hydroxy-1,5,7-triphenylhept-6-ene-1,3-dione
CID 242918
(5R)-5-(4-fluorophenyl)-3-[4-(hydroxymethyl)phenyl]cyclohex-2-en-1-one
CID 46904778
2-[1-Hydroxy-2-(3-methylphenyl)-2-oxo-1-phenylethyl]cyclohexan-1-one
CID 302295
5-Hydroxy-1,5-diphenylhexane-1,3-dione
CID 241655
2-(1-Hydroxy-2-oxo-1,2-diphenylethyl)cyclohexanone
CID 302294
4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one
CID 361630
(5R)-5-(4-fluorophenyl)-3-[3-(hydroxymethyl)phenyl]cyclohex-2-en-1-one
CID 44144013
[(3E)-3-[(3-fluorophenyl)methylidene]-2-hydroxycyclohexen-1-yl]-phenylmethanone
CID 122185130

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one (CID 142808724) is 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one is CC1C(=O)C(c2ccc(F)cc2)=C(c2ccccc2)C1(O)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is DLSOVALYWHVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO2/c1-16-23(26)21(17-12-14-20(25)15-13-17)22(18-8-4-2-5-9-18)24(16,27)19-10-6-3-7-11-19/h2,4-5,8-9,12-16,19,27H,3,6-7,10-11H2,1H3.
What are the key properties of 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one?
4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 364.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-5-methyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 142808724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).