1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one

C24H21NO3 — CID 71190790

IUPAC1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(c3ccccc3)CN(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C24H21NO3/c1-27-19-14-12-18(13-15-19)23-20(17-8-4-3-5-9-17)16-25(24(23)26)21-10-6-7-11-22(21)28-2/h3-15H,16H2,1-2H3
InChIKeyOHNSPWICPOPYGT-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.66
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one

1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one (PubChem CID 71190790) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
PubChem CID71190790
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(c3ccccc3)CN(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C24H21NO3/c1-27-19-14-12-18(13-15-19)23-20(17-8-4-3-5-9-17)16-25(24(23)26)21-10-6-7-11-22(21)28-2/h3-15H,16H2,1-2H3
InChIKeyOHNSPWICPOPYGT-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one
CID 10319221
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593653
(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404559
1-butyl-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110556246
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110585710
3-anilino-1-(2-ethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593309
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one
CID 10017519
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one (CID 71190790) is 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one is COc1ccc(C2=C(c3ccccc3)CN(c3ccccc3OC)C2=O)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
The InChIKey is OHNSPWICPOPYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-19-14-12-18(13-15-19)23-20(17-8-4-3-5-9-17)16-25(24(23)26)21-10-6-7-11-22(21)28-2/h3-15H,16H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one?
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one has a molecular weight of 371.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 71190790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).