3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione

C18H15NO3 — CID 53254280

IUPAC3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccccc3C)C(=O)NC2=O)cc1
InChIInChI=1S/C18H15NO3/c1-11-5-3-4-6-14(11)16-15(17(20)19-18(16)21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyXSLPBXIOMKLFMD-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.57
Rot. Bonds3

About 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione

3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione (PubChem CID 53254280) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
PubChem CID53254280
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccccc3C)C(=O)NC2=O)cc1
InChIInChI=1S/C18H15NO3/c1-11-5-3-4-6-14(11)16-15(17(20)19-18(16)21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyXSLPBXIOMKLFMD-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
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CID 53495227
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-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one
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4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
CID 57326285
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(3-chloroanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 6539464
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione (CID 53254280) is 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione is COc1ccc(C2=C(c3ccccc3C)C(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione?
The InChIKey is XSLPBXIOMKLFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-5-3-4-6-14(11)16-15(17(20)19-18(16)21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione?
3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione has a molecular weight of 293.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 53254280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).