(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one

C24H21NO3 — CID 94072924

IUPAC(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
SMILESCOc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2)c1
InChIInChI=1S/C24H21NO3/c1-28-20-14-8-9-17(15-20)16-25-22(19-12-6-3-7-13-19)21(23(26)24(25)27)18-10-4-2-5-11-18/h2-15,22,26H,16H2,1H3/t22-/m1/s1
InChIKeyNKRSGWSECMKPAT-JOCHJYFZSA-N
MW371.44 g/mol
LogP4.75
Rot. Bonds5

About (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one

(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one (PubChem CID 94072924) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
PubChem CID94072924
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
SMILESCOc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2)c1
InChIInChI=1S/C24H21NO3/c1-28-20-14-8-9-17(15-20)16-25-22(19-12-6-3-7-13-19)21(23(26)24(25)27)18-10-4-2-5-11-18/h2-15,22,26H,16H2,1H3/t22-/m1/s1
InChIKeyNKRSGWSECMKPAT-JOCHJYFZSA-N
XLogP4.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072965
2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50774168
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072943
(2R)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072942
2-(2-fluorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743760
(2R)-2-(4-chlorophenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072938
2-(4-ethylphenyl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774151
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072874
(2R)-1-benzyl-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94072786
(2S)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 51982049

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one (CID 94072924) is (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one is COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2)c1.
What is the InChIKey of (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one?
The InChIKey is NKRSGWSECMKPAT-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21NO3/c1-28-20-14-8-9-17(15-20)16-25-22(19-12-6-3-7-13-19)21(23(26)24(25)27)18-10-4-2-5-11-18/h2-15,22,26H,16H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one?
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one has a molecular weight of 371.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94072924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).