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

C29H27NO5 — CID 18856702

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

2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856702) has the molecular formula C29H27NO5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856702
• Molecular Formula: C29H27NO5
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.19
• IUPAC Name: 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1
• InChI: InChI=1S/C29H27NO5/c1-5-13-34-21-11-9-19(10-12-21)26-25-27(31)23-14-17(2)18(3)15-24(23)35-28(25)29(32)30(26)20-7-6-8-22(16-20)33-4/h6-12,14-16,26H,5,13H2,1-4H3
• InChIKey: VVYCCNAZKZWAJO-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856702) is 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1.

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

The InChIKey is VVYCCNAZKZWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO5/c1-5-13-34-21-11-9-19(10-12-21)26-25-27(31)23-14-17(2)18(3)15-24(23)35-28(25)29(32)30(26)20-7-6-8-22(16-20)33-4/h6-12,14-16,26H,5,13H2,1-4H3.

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

2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.54 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).