6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H33NO4 — CID 4706800

About 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706800) has the molecular formula C32H33NO4 and a molecular weight of 495.62 g/mol. Its IUPAC name is 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4706800
• Molecular Formula: C32H33NO4
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.24
• IUPAC Name: 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)c1
• InChI: InChI=1S/C32H33NO4/c1-4-5-9-17-36-25-14-10-13-24(20-25)29-28-30(34)26-18-21(2)22(3)19-27(26)37-31(28)32(35)33(29)16-15-23-11-7-6-8-12-23/h6-8,10-14,18-20,29H,4-5,9,15-17H2,1-3H3
• InChIKey: RPEMFMNRAZJGHD-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	6.77
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 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706800) is 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccccc2)c1.

What is the InChIKey of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is RPEMFMNRAZJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO4/c1-4-5-9-17-36-25-14-10-13-24(20-25)29-28-30(34)26-18-21(2)22(3)19-27(26)37-31(28)32(35)33(29)16-15-23-11-7-6-8-12-23/h6-8,10-14,18-20,29H,4-5,9,15-17H2,1-3H3.

What are the key properties of 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 495.62 g/mol, XLogP of 6.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-1-(3-pentoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).