1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H20FNO4 — CID 166490189

About 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 166490189) has the molecular formula C30H20FNO4 and a molecular weight of 477.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 166490189
• Molecular Formula: C30H20FNO4
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.14
• IUPAC Name: 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1Cc1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C30H20FNO4/c31-21-15-13-20(14-16-21)27-26-28(33)24-11-4-5-12-25(24)36-29(26)30(34)32(27)18-19-7-6-10-23(17-19)35-22-8-2-1-3-9-22/h1-17,27H,18H2
• InChIKey: VZWCEHAMWOFSHF-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 166490189) is 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(F)cc2)N1Cc1cccc(Oc2ccccc2)c1.

What is the InChIKey of 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VZWCEHAMWOFSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FNO4/c31-21-15-13-20(14-16-21)27-26-28(33)24-11-4-5-12-25(24)36-29(26)30(34)32(27)18-19-7-6-10-23(17-19)35-22-8-2-1-3-9-22/h1-17,27H,18H2.

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

1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.49 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-2-[(3-phenoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 166490189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).