4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one

C25H23NO2 — CID 50774152

IUPAC4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-18-12-14-20(15-13-18)22-23(21-10-6-3-7-11-21)26(25(28)24(22)27)17-16-19-8-4-2-5-9-19/h2-15,23,27H,16-17H2,1H3
InChIKeyJDVRGDGJGWJMMP-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.09
Rot. Bonds5

About 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one

4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 50774152) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID50774152
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-18-12-14-20(15-13-18)22-23(21-10-6-3-7-11-21)26(25(28)24(22)27)17-16-19-8-4-2-5-9-19/h2-15,23,27H,16-17H2,1H3
InChIKeyJDVRGDGJGWJMMP-UHFFFAOYSA-N
XLogP5.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 50774337
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072919
1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50773859
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
4-[4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 50774191
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774092
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 50774152) is 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is JDVRGDGJGWJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-18-12-14-20(15-13-18)22-23(21-10-6-3-7-11-21)26(25(28)24(22)27)17-16-19-8-4-2-5-9-19/h2-15,23,27H,16-17H2,1H3.
What are the key properties of 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 369.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methylphenyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 50774152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).