3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione

C20H19NO3 — CID 158792660

IUPAC3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
SMILESCCCc1ccc(Oc2ccc(N3C(=O)C=C(C)C3=O)cc2)cc1
InChIInChI=1S/C20H19NO3/c1-3-4-15-5-9-17(10-6-15)24-18-11-7-16(8-12-18)21-19(22)13-14(2)20(21)23/h5-13H,3-4H2,1-2H3
InChIKeyISLXKUPMVIEQGO-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.25
Rot. Bonds5

About 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione

3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione (PubChem CID 158792660) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
PubChem CID158792660
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
SMILESCCCc1ccc(Oc2ccc(N3C(=O)C=C(C)C3=O)cc2)cc1
InChIInChI=1S/C20H19NO3/c1-3-4-15-5-9-17(10-6-15)24-18-11-7-16(8-12-18)21-19(22)13-14(2)20(21)23/h5-13H,3-4H2,1-2H3
InChIKeyISLXKUPMVIEQGO-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[4-[4-[3-[4-[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 158317296
1-[2-methyl-4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
CID 22071448
1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione
CID 43617146
5-methylidene-3-[4-(4-pentylphenoxy)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 22359822
4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoate
CID 26580205
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125
3-ethyl-1-[4-[[4-(3-ethyl-2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 67812110
1-(4-butylphenyl)-3,4-diiodopyrrole-2,5-dione
CID 100958944
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
4-(4-propylphenoxy)benzonitrile
CID 20986267
1-(4-amino-3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 61350366

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione (CID 158792660) is 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione is CCCc1ccc(Oc2ccc(N3C(=O)C=C(C)C3=O)cc2)cc1.
What is the InChIKey of 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is ISLXKUPMVIEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-4-15-5-9-17(10-6-15)24-18-11-7-16(8-12-18)21-19(22)13-14(2)20(21)23/h5-13H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione?
3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 321.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 158792660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).