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

C26H23NO5 — CID 18820457

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

1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820457) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820457
• Molecular Formula: C26H23NO5
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.16
• IUPAC Name: 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C26H23NO5/c1-4-30-18-9-7-17(8-10-18)23-22-24(28)20-12-15(2)16(3)13-21(20)32-25(22)26(29)27(23)14-19-6-5-11-31-19/h5-13,23H,4,14H2,1-3H3
• InChIKey: YUQHEQRUIBXPLL-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 72.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820457) is 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1.

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

The InChIKey is YUQHEQRUIBXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-4-30-18-9-7-17(8-10-18)23-22-24(28)20-12-15(2)16(3)13-21(20)32-25(22)26(29)27(23)14-19-6-5-11-31-19/h5-13,23H,4,14H2,1-3H3.

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

1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 429.47 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).