2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H30FNO4 — CID 19108758

About 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19108758) has the molecular formula C31H30FNO4 and a molecular weight of 499.58 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19108758
• Molecular Formula: C31H30FNO4
• Molecular Weight: 499.58 g/mol
• Exact Mass: 499.22
• IUPAC Name: 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1
• InChI: InChI=1S/C31H30FNO4/c1-4-5-6-15-36-24-13-9-22(10-14-24)28-27-29(34)26-20(3)16-19(2)17-25(26)37-30(27)31(35)33(28)18-21-7-11-23(32)12-8-21/h7-14,16-17,28H,4-6,15,18H2,1-3H3
• InChIKey: LIFXGKZDXHTGNK-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.58
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19108758) is 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1.

What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is LIFXGKZDXHTGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FNO4/c1-4-5-6-15-36-24-13-9-22(10-14-24)28-27-29(34)26-20(3)16-19(2)17-25(26)37-30(27)31(35)33(28)18-21-7-11-23(32)12-8-21/h7-14,16-17,28H,4-6,15,18H2,1-3H3.

What are the key properties of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 499.58 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19108758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).