3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one

C23H24ClNO2 — CID 101437578

IUPAC3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one
SMILESCc1ccc(C2(O)C=C(c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C23H24ClNO2/c1-16-7-11-18(12-8-16)23(27)15-21(17-9-13-19(24)14-10-17)22(26)25(23)20-5-3-2-4-6-20/h7-15,20,27H,2-6H2,1H3
InChIKeyWZNXHPSUEGUVGR-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.05
Rot. Bonds3

About 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one

3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one (PubChem CID 101437578) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one
PubChem CID101437578
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one
SMILESCc1ccc(C2(O)C=C(c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C23H24ClNO2/c1-16-7-11-18(12-8-16)23(27)15-21(17-9-13-19(24)14-10-17)22(26)25(23)20-5-3-2-4-6-20/h7-15,20,27H,2-6H2,1H3
InChIKeyWZNXHPSUEGUVGR-UHFFFAOYSA-N
XLogP5.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-cyclododecyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584204
8a-hydroxy-5-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroindolizin-3-one
CID 11128964
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
(2S,9aR)-2-(4-chlorophenyl)-1-(4-methylphenyl)-3,4,5,6,7,8,9,9a-octahydroimidazo[1,2-a]azepin-4-ium-2-ol
CID 6596514
3-(4-chlorophenyl)-1-cycloheptyl-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569820
3-(4-chlorophenyl)-1-cyclooctyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110569852
(2S)-2-(4-chlorophenyl)-1-cyclododecyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol
CID 56668487
2-(4-chlorophenyl)-1-cyclooctyl-3H-imidazo[1,2-a]pyrimidin-4-ium-2-ol bromide
CID 67300608
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110569785
6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
CID 134916199
2-amino-5-(4-chlorophenyl)-3,5-dicyclohexylimidazol-4-one
CID 86274555

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one (CID 101437578) is 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one is Cc1ccc(C2(O)C=C(c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one?
The InChIKey is WZNXHPSUEGUVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-16-7-11-18(12-8-16)23(27)15-21(17-9-13-19(24)14-10-17)22(26)25(23)20-5-3-2-4-6-20/h7-15,20,27H,2-6H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one?
3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one has a molecular weight of 381.90 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one is sourced from PubChem (CID 101437578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).