1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO4 — CID 5168162

About 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5168162) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 5168162
• Molecular Formula: C29H27NO4
• Molecular Weight: 453.54 g/mol
• Exact Mass: 453.19
• IUPAC Name: 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC(O)c2ccccc2)cc1
• InChI: InChI=1S/C29H27NO4/c1-29(2,3)20-15-13-19(14-16-20)25-24-26(32)21-11-7-8-12-23(21)34-27(24)28(33)30(25)17-22(31)18-9-5-4-6-10-18/h4-16,22,25,31H,17H2,1-3H3
• InChIKey: OILWXBLGLIONLH-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.54
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5168162) is 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CC(O)c2ccccc2)cc1.

What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OILWXBLGLIONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO4/c1-29(2,3)20-15-13-19(14-16-20)25-24-26(32)21-11-7-8-12-23(21)34-27(24)28(33)30(25)17-22(31)18-9-5-4-6-10-18/h4-16,22,25,31H,17H2,1-3H3.

What are the key properties of 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 453.54 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)-2-(2-hydroxy-2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5168162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).