5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one

C25H23NO2 — CID 3134430

IUPAC5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
SMILESCOc1ccc(C2CC(=O)C=C(Nc3ccccc3-c3ccccc3)C2)cc1
InChIInChI=1S/C25H23NO2/c1-28-23-13-11-18(12-14-23)20-15-21(17-22(27)16-20)26-25-10-6-5-9-24(25)19-7-3-2-4-8-19/h2-14,17,20,26H,15-16H2,1H3
InChIKeyCYHQVBZVKLDBEB-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.80
Rot. Bonds5

About 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one

5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one (PubChem CID 3134430) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
PubChem CID3134430
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
SMILESCOc1ccc(C2CC(=O)C=C(Nc3ccccc3-c3ccccc3)C2)cc1
InChIInChI=1S/C25H23NO2/c1-28-23-13-11-18(12-14-23)20-15-21(17-22(27)16-20)26-25-10-6-5-9-24(25)19-7-3-2-4-8-19/h2-14,17,20,26H,15-16H2,1H3
InChIKeyCYHQVBZVKLDBEB-UHFFFAOYSA-N
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one (CID 3134430) is 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one is COc1ccc(C2CC(=O)C=C(Nc3ccccc3-c3ccccc3)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one?
The InChIKey is CYHQVBZVKLDBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-28-23-13-11-18(12-14-23)20-15-21(17-22(27)16-20)26-25-10-6-5-9-24(25)19-7-3-2-4-8-19/h2-14,17,20,26H,15-16H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one?
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one has a molecular weight of 369.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 3134430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).