(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one

C24H20O — CID 142808769

IUPAC(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
SMILESCC1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H20O/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24(17)25)20-15-9-4-10-16-20/h2-17,21H,1H3/t17?,21-/m0/s1
InChIKeyVEFOETBKPCXNGW-LFABVHOISA-N
MW324.42 g/mol
LogP5.60
Rot. Bonds3

About (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one

(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one (PubChem CID 142808769) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
PubChem CID142808769
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
SMILESCC1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H20O/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24(17)25)20-15-9-4-10-16-20/h2-17,21H,1H3/t17?,21-/m0/s1
InChIKeyVEFOETBKPCXNGW-LFABVHOISA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-5-methyl-2,3,4-triphenylcyclopent-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

(5S)-4-(3,5-difluorophenyl)-2-(4-fluorophenyl)-5-methyl-3-phenylcyclopent-2-en-1-one
CID 142808739
(4S,5R)-5-fluoro-2-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 138979307
(4S,5R)-5-hydroxy-3-methoxy-2,4-diphenylcyclopent-2-en-1-one
CID 101115951
(1R,2S,6S,7R)-4,5,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
CID 98174899
[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
CID 134888097
2,3-diphenyl-4,5-dipropylcyclopent-2-en-1-one
CID 71372881
2-methyl-3,4-diphenylcyclobutan-1-one
CID 12734579
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560
ethyl (1S,2R)-2-(4-methoxyphenyl)-5-oxo-3,4-diphenylcyclopent-3-ene-1-carboxylate
CID 16724985
7-hydroxy-2,4-dimethyl-3-phenyl-2,3-dihydroinden-1-one
CID 14834731
ethyl 3-methyl-2-oxo-4,5-diphenylcyclopent-3-ene-1-carboxylate
CID 73311477

Frequently Asked Questions

What is the IUPAC name of (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
The IUPAC name of (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one (CID 142808769) is (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one is CC1C(=O)C(c2ccccc2)=C(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
The InChIKey is VEFOETBKPCXNGW-LFABVHOISA-N. The full InChI is InChI=1S/C24H20O/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24(17)25)20-15-9-4-10-16-20/h2-17,21H,1H3/t17?,21-/m0/s1.
What are the key properties of (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one?
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one has a molecular weight of 324.42 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one is sourced from PubChem (CID 142808769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).