(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one

C26H25NO5 — CID 94073209

IUPAC(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(O)C(=O)N(Cc3ccc(OC)cc3OC)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H25NO5/c1-30-20-12-9-17(10-13-20)23-24(18-7-5-4-6-8-18)27(26(29)25(23)28)16-19-11-14-21(31-2)15-22(19)32-3/h4-15,24,28H,16H2,1-3H3/t24-/m0/s1
InChIKeyYQQUSZKHAFXFMR-DEOSSOPVSA-N
MW431.49 g/mol
LogP4.77
Rot. Bonds7

About (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one

(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 94073209) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
PubChem CID94073209
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(O)C(=O)N(Cc3ccc(OC)cc3OC)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H25NO5/c1-30-20-12-9-17(10-13-20)23-24(18-7-5-4-6-8-18)27(26(29)25(23)28)16-19-11-14-21(31-2)15-22(19)32-3/h4-15,24,28H,16H2,1-3H3/t24-/m0/s1
InChIKeyYQQUSZKHAFXFMR-DEOSSOPVSA-N
XLogP4.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 94073146
(2S)-3-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94071913
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
(2R)-1-benzyl-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94072786
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072838
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072815
2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50774168
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072874
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072943

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one (CID 94073209) is (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one is COc1ccc(C2=C(O)C(=O)N(Cc3ccc(OC)cc3OC)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
The InChIKey is YQQUSZKHAFXFMR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25NO5/c1-30-20-12-9-17(10-13-20)23-24(18-7-5-4-6-8-18)27(26(29)25(23)28)16-19-11-14-21(31-2)15-22(19)32-3/h4-15,24,28H,16H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one?
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 431.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94073209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).