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

C29H33NO6 — CID 18820446

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

1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820446) has the molecular formula C29H33NO6 and a molecular weight of 491.58 g/mol. Its IUPAC name is 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820446
• Molecular Formula: C29H33NO6
• Molecular Weight: 491.58 g/mol
• Exact Mass: 491.23
• IUPAC Name: 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC2CCCO2)cc1OCC
• InChI: InChI=1S/C29H33NO6/c1-5-11-35-22-10-9-19(15-24(22)33-6-2)26-25-27(31)21-13-17(3)18(4)14-23(21)36-28(25)29(32)30(26)16-20-8-7-12-34-20/h9-10,13-15,20,26H,5-8,11-12,16H2,1-4H3
• InChIKey: YHAQHPGKZQIVOV-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.58
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820446) is 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC2CCCO2)cc1OCC.

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

The InChIKey is YHAQHPGKZQIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO6/c1-5-11-35-22-10-9-19(15-24(22)33-6-2)26-25-27(31)21-13-17(3)18(4)14-23(21)36-28(25)29(32)30(26)16-20-8-7-12-34-20/h9-10,13-15,20,26H,5-8,11-12,16H2,1-4H3.

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

1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 491.58 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-propoxyphenyl)-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).