1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C35H39NO6 — CID 18881201

About 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18881201) has the molecular formula C35H39NO6 and a molecular weight of 569.70 g/mol. Its IUPAC name is 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18881201
• Molecular Formula: C35H39NO6
• Molecular Weight: 569.70 g/mol
• Exact Mass: 569.28
• IUPAC Name: 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC
• InChI: InChI=1S/C35H39NO6/c1-6-8-9-18-41-28-15-12-25(21-29(28)40-7-2)31-30-32(37)27-20-22(3)19-23(4)33(27)42-34(30)35(38)36(31)17-16-24-10-13-26(39-5)14-11-24/h10-15,19-21,31H,6-9,16-18H2,1-5H3
• InChIKey: OPRJHPVPBMAVMI-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.70
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18881201) is 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC.

What is the InChIKey of 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OPRJHPVPBMAVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO6/c1-6-8-9-18-41-28-15-12-25(21-29(28)40-7-2)31-30-32(37)27-20-22(3)19-23(4)33(27)42-34(30)35(38)36(31)17-16-24-10-13-26(39-5)14-11-24/h10-15,19-21,31H,6-9,16-18H2,1-5H3.

What are the key properties of 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 569.70 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-pentoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18881201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).