(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H33NO6 — CID 2030452

About (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2030452) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2030452
• Molecular Formula: C28H33NO6
• Molecular Weight: 479.57 g/mol
• Exact Mass: 479.23
• IUPAC Name: (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)ccc1OCC(C)C
• InChI: InChI=1S/C28H33NO6/c1-17(2)16-34-22-12-11-19(15-23(22)32-5)25-24-26(30)20-9-6-7-10-21(20)35-27(24)28(31)29(25)13-8-14-33-18(3)4/h6-7,9-12,15,17-18,25H,8,13-14,16H2,1-5H3/t25-/m1/s1
• InChIKey: WQFQCABUCBQTBW-RUZDIDTESA-N
• XLogP: 5.20
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2030452) is (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)ccc1OCC(C)C.

What is the InChIKey of (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is WQFQCABUCBQTBW-RUZDIDTESA-N. The full InChI is InChI=1S/C28H33NO6/c1-17(2)16-34-22-12-11-19(15-23(22)32-5)25-24-26(30)20-9-6-7-10-21(20)35-27(24)28(31)29(25)13-8-14-33-18(3)4/h6-7,9-12,15,17-18,25H,8,13-14,16H2,1-5H3/t25-/m1/s1.

What are the key properties of (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 479.57 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).