(4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one

C25H20Cl2O2 — CID 142808697

IUPAC(4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one
SMILESCC1(C)C(=O)C(c2ccccc2)=C(c2ccc(Cl)cc2)[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20Cl2O2/c1-24(2)23(28)21(16-6-4-3-5-7-16)22(17-8-12-19(26)13-9-17)25(24,29)18-10-14-20(27)15-11-18/h3-15,29H,1-2H3/t25-/m1/s1
InChIKeySPEFRXJGYCCLKX-RUZDIDTESA-N
MW423.34 g/mol
LogP6.40
Rot. Bonds3

About (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one

(4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one (PubChem CID 142808697) has the molecular formula C25H20Cl2O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one
PubChem CID142808697
Molecular FormulaC25H20Cl2O2
Molecular Weight423.34 g/mol
Exact Mass422.08
IUPAC Name(4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one
SMILESCC1(C)C(=O)C(c2ccccc2)=C(c2ccc(Cl)cc2)[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C25H20Cl2O2/c1-24(2)23(28)21(16-6-4-3-5-7-16)22(17-8-12-19(26)13-9-17)25(24,29)18-10-14-20(27)15-11-18/h3-15,29H,1-2H3/t25-/m1/s1
InChIKeySPEFRXJGYCCLKX-RUZDIDTESA-N
XLogP6.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-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

2-(4-(4-Chlorophenyl)Cyclohexylidene)-3,4-Dihydroxy-1(2h)-Naphthalenone
CID 135509075
7-(2-Chlorophenyl)-1-hydroxy-1,1-diphenylheptane-3,5-dione
CID 276495
4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one
CID 361630
4-[4-(4-Chlorophenyl)-4-hydroxycyclohexyl]-1-(4-fluorophenyl)butan-1-one
CID 44354626
3-((1,1'-Biphenyl)-4-yl)-3-(4-chlorophenyl)-3-hydroxypropanoic acid
CID 3054480
1-Propanone, 3-(4-chlorophenyl)-2,2-dimethyl-3-hydroxy-1-phenyl-
CID 3059014
1-Propanone, 3-(2,4-dichlorophenyl)-2,2-dimethyl-3-hydroxy-1-phenyl-
CID 3059017
1-[6,6-Bis(4-chlorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872229
3-(4-Chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-1-phenylbutan-1-one
CID 71505831
1-(4-Chlorophenyl)-2,2,4,4,4-pentafluoro-3-hydroxy-3-phenylbutan-1-one
CID 71505978
(4S)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one
CID 139121259
1-(4-Chlorophenyl)-3-hydroxy-3-phenylbutan-2-one
CID 102141891

Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one (CID 142808697) is (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one is CC1(C)C(=O)C(c2ccccc2)=C(c2ccc(Cl)cc2)[C@]1(O)c1ccc(Cl)cc1.
What is the InChIKey of (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one?
The InChIKey is SPEFRXJGYCCLKX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20Cl2O2/c1-24(2)23(28)21(16-6-4-3-5-7-16)22(17-8-12-19(26)13-9-17)25(24,29)18-10-14-20(27)15-11-18/h3-15,29H,1-2H3/t25-/m1/s1.
What are the key properties of (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one?
(4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one has a molecular weight of 423.34 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-bis(4-chlorophenyl)-4-hydroxy-5,5-dimethyl-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 142808697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).