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

C28H24FNO5 — CID 18810304

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

7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810304) has the molecular formula C28H24FNO5 and a molecular weight of 473.50 g/mol. Its IUPAC name is 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810304
• Molecular Formula: C28H24FNO5
• Molecular Weight: 473.50 g/mol
• Exact Mass: 473.16
• IUPAC Name: 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1
• InChI: InChI=1S/C28H24FNO5/c1-3-14-34-21-11-6-18(7-12-21)25-24-26(31)22-15-19(29)8-13-23(22)35-27(24)28(32)30(25)16-17-4-9-20(33-2)10-5-17/h4-13,15,25H,3,14,16H2,1-2H3
• InChIKey: ZEZBSTQJXOIIGF-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.50
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810304) is 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1.

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

The InChIKey is ZEZBSTQJXOIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO5/c1-3-14-34-21-11-6-18(7-12-21)25-24-26(31)22-15-19(29)8-13-23(22)35-27(24)28(32)30(25)16-17-4-9-20(33-2)10-5-17/h4-13,15,25H,3,14,16H2,1-2H3.

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

7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 473.50 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-[(4-methoxyphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).