1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one

C22H23NO2 — CID 101437573

IUPAC1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one
SMILESO=C1C(c2ccccc2)=CC(O)(c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C22H23NO2/c24-21-20(17-10-4-1-5-11-17)16-22(25,18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,25H,3,8-9,14-15H2
InChIKeySHKPTWJQCYBBQF-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.09
Rot. Bonds3

About 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one

1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one (PubChem CID 101437573) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one
PubChem CID101437573
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one
SMILESO=C1C(c2ccccc2)=CC(O)(c2ccccc2)N1C1CCCCC1
InChIInChI=1S/C22H23NO2/c24-21-20(17-10-4-1-5-11-17)16-22(25,18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,25H,3,8-9,14-15H2
InChIKeySHKPTWJQCYBBQF-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-((R)-2-oxo-5-(4-phenylpenta-1,3-dienyl)pyrrolidin-1-yl)ethyl)benzoic acid
CID 10452108
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 24895661
2-Cyclopropyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 2971914
N-benzhydryl-4-(hydroxymethyl)benzamide
CID 2451102
3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
(4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 5853416
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide
CID 24895553
(S)-N-(cis-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 24895554
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 24895660

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
The IUPAC name of 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one (CID 101437573) is 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one.
What is the SMILES notation for 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
The canonical SMILES for 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one is O=C1C(c2ccccc2)=CC(O)(c2ccccc2)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
The InChIKey is SHKPTWJQCYBBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-21-20(17-10-4-1-5-11-17)16-22(25,18-12-6-2-7-13-18)23(21)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19,25H,3,8-9,14-15H2.
What are the key properties of 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one?
1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hydroxy-3,5-diphenylpyrrol-2-one is sourced from PubChem (CID 101437573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).