bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane

C35H30N2O8 — CID 158451070

IUPACbis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
SMILESCCC.O=C1C=CC(=O)N1c1ccc(Oc2ccc(O)cc2)cc1.O=C1C=CC(=O)N1c1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/2C16H11NO4.C3H8/c2*18-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)17-15(19)9-10-16(17)20;1-3-2/h2*1-10,18H;3H2,1-2H3
InChIKeyHDZJTLJDCRDBBF-UHFFFAOYSA-N
MW606.63 g/mol
LogP6.64
Rot. Bonds6

About bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane

bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane (PubChem CID 158451070) has the molecular formula C35H30N2O8 and a molecular weight of 606.63 g/mol. Its IUPAC name is bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane.

Molecular Properties

Compound Namebis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
PubChem CID158451070
Molecular FormulaC35H30N2O8
Molecular Weight606.63 g/mol
Exact Mass606.20
IUPAC Namebis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane
SMILESCCC.O=C1C=CC(=O)N1c1ccc(Oc2ccc(O)cc2)cc1.O=C1C=CC(=O)N1c1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/2C16H11NO4.C3H8/c2*18-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)17-15(19)9-10-16(17)20;1-3-2/h2*1-10,18H;3H2,1-2H3
InChIKeyHDZJTLJDCRDBBF-UHFFFAOYSA-N
XLogP6.64
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.63
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 19737566
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-[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
2,6-bis[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 15248747
CID 159296876
CID 159296876
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
[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 146213784
1-[4-[2,6-di(butan-2-yl)phenoxy]phenyl]pyrrole-2,5-dione
CID 57237736
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 22155630
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
[4-(2,5-dioxopyrrol-1-yl)phenyl] 2-bromobutanoate
CID 101372829
1-[4-(4-azidophenoxy)phenyl]pyrrole-2,5-dione
CID 20572000

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane?
The IUPAC name of bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane (CID 158451070) is bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane.
What is the SMILES notation for bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane?
The canonical SMILES for bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane is CCC.O=C1C=CC(=O)N1c1ccc(Oc2ccc(O)cc2)cc1.O=C1C=CC(=O)N1c1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane?
The InChIKey is HDZJTLJDCRDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11NO4.C3H8/c2*18-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)17-15(19)9-10-16(17)20;1-3-2/h2*1-10,18H;3H2,1-2H3.
What are the key properties of bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane?
bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane has a molecular weight of 606.63 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-(4-hydroxyphenoxy)phenyl]pyrrole-2,5-dione);propane is sourced from PubChem (CID 158451070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).