1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H20F3NO4 — CID 18852583

About 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852583) has the molecular formula C27H20F3NO4 and a molecular weight of 479.45 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18852583
• Molecular Formula: C27H20F3NO4
• Molecular Weight: 479.45 g/mol
• Exact Mass: 479.13
• IUPAC Name: 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C27H20F3NO4/c1-2-13-34-19-10-5-7-16(14-19)23-22-24(32)20-11-3-4-12-21(20)35-25(22)26(33)31(23)18-9-6-8-17(15-18)27(28,29)30/h3-12,14-15,23H,2,13H2,1H3
• InChIKey: NDEOWAKZXZVNNH-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.45
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852583) is 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1.

What is the InChIKey of 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is NDEOWAKZXZVNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3NO4/c1-2-13-34-19-10-5-7-16(14-19)23-22-24(32)20-11-3-4-12-21(20)35-25(22)26(33)31(23)18-9-6-8-17(15-18)27(28,29)30/h3-12,14-15,23H,2,13H2,1H3.

What are the key properties of 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 479.45 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).