1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione

C24H27NO3 — CID 57237736

IUPAC1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
SMILESCCC(C)c1cccc(C(C)CC)c1Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C24H27NO3/c1-5-16(3)20-8-7-9-21(17(4)6-2)24(20)28-19-12-10-18(11-13-19)25-22(26)14-15-23(25)27/h7-17H,5-6H2,1-4H3
InChIKeyHPCMZYFQMVHQSE-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.94
Rot. Bonds7

About 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione

1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione (PubChem CID 57237736) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
PubChem CID57237736
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
SMILESCCC(C)c1cccc(C(C)CC)c1Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C24H27NO3/c1-5-16(3)20-8-7-9-21(17(4)6-2)24(20)28-19-12-10-18(11-13-19)25-22(26)14-15-23(25)27/h7-17H,5-6H2,1-4H3
InChIKeyHPCMZYFQMVHQSE-UHFFFAOYSA-N
XLogP5.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.94
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

bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
CID 158451070
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]butyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 174939260
1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 22155630
1-[4-(2,4-dibromo-6-propylphenoxy)phenyl]pyrrole-2,5-dione
CID 142990524
1-[4-[4-[2-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 18995304
1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 3253093
1-[4-[4-[2-[3-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
CID 15277901
2,6-bis[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 15248747
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
CID 20502008
1-[4-[[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 163499593

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione (CID 57237736) is 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione is CCC(C)c1cccc(C(C)CC)c1Oc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is HPCMZYFQMVHQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-5-16(3)20-8-7-9-21(17(4)6-2)24(20)28-19-12-10-18(11-13-19)25-22(26)14-15-23(25)27/h7-17H,5-6H2,1-4H3.
What are the key properties of 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione?
1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 377.48 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 57237736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).