(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

C26H25NO2 — CID 94072919

IUPAC(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-3-19-13-15-22(16-14-19)24-23(21-7-5-4-6-8-21)25(28)26(29)27(24)17-20-11-9-18(2)10-12-20/h4-16,24,28H,3,17H2,1-2H3/t24-/m0/s1
InChIKeyGKVVDHVIVRQHBR-DEOSSOPVSA-N
MW383.49 g/mol
LogP5.61
Rot. Bonds5

About (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 94072919) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID94072919
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-3-19-13-15-22(16-14-19)24-23(21-7-5-4-6-8-21)25(28)26(29)27(24)17-20-11-9-18(2)10-12-20/h4-16,24,28H,3,17H2,1-2H3/t24-/m0/s1
InChIKeyGKVVDHVIVRQHBR-DEOSSOPVSA-N
XLogP5.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072923
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
4-[4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774191
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072901
2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774151
1-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50773833

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 94072919) is (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is CCc1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is GKVVDHVIVRQHBR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25NO2/c1-3-19-13-15-22(16-14-19)24-23(21-7-5-4-6-8-21)25(28)26(29)27(24)17-20-11-9-18(2)10-12-20/h4-16,24,28H,3,17H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 383.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94072919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).