2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H25NO5 — CID 18857000

About 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857000) has the molecular formula C29H25NO5 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18857000
• Molecular Formula: C29H25NO5
• Molecular Weight: 467.52 g/mol
• Exact Mass: 467.17
• IUPAC Name: 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)c1
• InChI: InChI=1S/C29H25NO5/c1-5-34-22-8-6-7-20(15-22)26-25-27(32)23-13-16(2)17(3)14-24(23)35-28(25)29(33)30(26)21-11-9-19(10-12-21)18(4)31/h6-15,26H,5H2,1-4H3
• InChIKey: FXFIGTWPPFCOQA-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 76.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.52
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857000) is 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)c1.

What is the InChIKey of 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FXFIGTWPPFCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO5/c1-5-34-22-8-6-7-20(15-22)26-25-27(32)23-13-16(2)17(3)14-24(23)35-28(25)29(33)30(26)21-11-9-19(10-12-21)18(4)31/h6-15,26H,5H2,1-4H3.

What are the key properties of 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.52 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetylphenyl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).