7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H22FNO5 — CID 18856243

About 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856243) has the molecular formula C28H22FNO5 and a molecular weight of 471.48 g/mol. Its IUPAC name is 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856243
• Molecular Formula: C28H22FNO5
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.15
• IUPAC Name: 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1OC
• InChI: InChI=1S/C28H22FNO5/c1-4-13-34-22-11-7-17(14-23(22)33-3)25-24-26(31)20-15-18(29)8-12-21(20)35-27(24)28(32)30(25)19-9-5-16(2)6-10-19/h4-12,14-15,25H,1,13H2,2-3H3
• InChIKey: VFGMMFYCKLLAFT-UHFFFAOYSA-N
• XLogP: 5.56
• 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	471.48
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856243) is 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1OC.

What is the InChIKey of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VFGMMFYCKLLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FNO5/c1-4-13-34-22-11-7-17(14-23(22)33-3)25-24-26(31)20-15-18(29)8-12-21(20)35-27(24)28(32)30(25)19-9-5-16(2)6-10-19/h4-12,14-15,25H,1,13H2,2-3H3.

What are the key properties of 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 471.48 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).