1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione

C26H21NO5 — CID 70832447

IUPAC1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(=O)c1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21NO5/c28-17-18-32-26(20-7-3-1-4-8-20,21-9-5-2-6-10-21)22-13-11-19(12-14-22)25(31)27-23(29)15-16-24(27)30/h1-16,28H,17-18H2
InChIKeyCQFIWGAWGGIPNN-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.05
Rot. Bonds7

About 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione

1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione (PubChem CID 70832447) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione
PubChem CID70832447
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C(=O)c1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H21NO5/c28-17-18-32-26(20-7-3-1-4-8-20,21-9-5-2-6-10-21)22-13-11-19(12-14-22)25(31)27-23(29)15-16-24(27)30/h1-16,28H,17-18H2
InChIKeyCQFIWGAWGGIPNN-UHFFFAOYSA-N
XLogP3.05
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione (CID 70832447) is 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1C(=O)c1ccc(C(OCCO)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione?
The InChIKey is CQFIWGAWGGIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c28-17-18-32-26(20-7-3-1-4-8-20,21-9-5-2-6-10-21)22-13-11-19(12-14-22)25(31)27-23(29)15-16-24(27)30/h1-16,28H,17-18H2.
What are the key properties of 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione?
1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione has a molecular weight of 427.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxyethoxy(diphenyl)methyl]benzoyl]pyrrole-2,5-dione is sourced from PubChem (CID 70832447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).