1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO5 — CID 18809875

About 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809875) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18809875
• Molecular Formula: C28H25NO5
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.17
• IUPAC Name: 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)c1
• InChI: InChI=1S/C28H25NO5/c1-4-33-21-7-5-6-19(15-21)25-24-26(30)22-14-17(2)8-13-23(22)34-27(24)28(31)29(25)16-18-9-11-20(32-3)12-10-18/h5-15,25H,4,16H2,1-3H3
• InChIKey: OVWCIZGPEAAQIP-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809875) is 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)c1.

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

The InChIKey is OVWCIZGPEAAQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-4-33-21-7-5-6-19(15-21)25-24-26(30)22-14-17(2)8-13-23(22)34-27(24)28(31)29(25)16-18-9-11-20(32-3)12-10-18/h5-15,25H,4,16H2,1-3H3.

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

1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).