(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one

C24H21NO2 — CID 101480970

IUPAC(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one
SMILESCc1ccc(C2=C[C@](O)(c3ccccc3)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-18-12-14-20(15-13-18)22-16-24(27,21-10-6-3-7-11-21)23(26)25(22)17-19-8-4-2-5-9-19/h2-16,27H,17H2,1H3/t24-/m0/s1
InChIKeyJHRCHGGFXAZYJO-DEOSSOPVSA-N
MW355.44 g/mol
LogP4.27
Rot. Bonds4

About (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one

(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one (PubChem CID 101480970) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one
PubChem CID101480970
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one
SMILESCc1ccc(C2=C[C@](O)(c3ccccc3)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-18-12-14-20(15-13-18)22-16-24(27,21-10-6-3-7-11-21)23(26)25(22)17-19-8-4-2-5-9-19/h2-16,27H,17H2,1H3/t24-/m0/s1
InChIKeyJHRCHGGFXAZYJO-DEOSSOPVSA-N
XLogP4.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
1-benzyl-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581977
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
1-benzyl-5-chloro-3-hydroxy-3-[2-(4-methylphenyl)ethynyl]indol-2-one
CID 102365931
1-benzyl-3,3,4,4,5,5-hexafluoropiperidine-2,6-dione
CID 86616586
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
1-benzyl-5-phenyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
CID 22149443
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 46435513

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one?
The IUPAC name of (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one (CID 101480970) is (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one?
The canonical SMILES for (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one is Cc1ccc(C2=C[C@](O)(c3ccccc3)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one?
The InChIKey is JHRCHGGFXAZYJO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO2/c1-18-12-14-20(15-13-18)22-16-24(27,21-10-6-3-7-11-21)23(26)25(22)17-19-8-4-2-5-9-19/h2-16,27H,17H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one?
(3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one has a molecular weight of 355.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-hydroxy-5-(4-methylphenyl)-3-phenylpyrrol-2-one is sourced from PubChem (CID 101480970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).