7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H24ClNO4 — CID 18820222

About 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820222) has the molecular formula C24H24ClNO4 and a molecular weight of 425.91 g/mol. Its IUPAC name is 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820222
• Molecular Formula: C24H24ClNO4
• Molecular Weight: 425.91 g/mol
• Exact Mass: 425.14
• IUPAC Name: 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)cc1
• InChI: InChI=1S/C24H24ClNO4/c1-14(2)29-12-4-11-26-21(16-7-5-15(3)6-8-16)20-22(27)18-13-17(25)9-10-19(18)30-23(20)24(26)28/h5-10,13-14,21H,4,11-12H2,1-3H3
• InChIKey: FYKYGPGLHJROLI-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.91
LogP ≤ 5	5.12
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 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820222) is 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)cc1.

What is the InChIKey of 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FYKYGPGLHJROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4/c1-14(2)29-12-4-11-26-21(16-7-5-15(3)6-8-16)20-22(27)18-13-17(25)9-10-19(18)30-23(20)24(26)28/h5-10,13-14,21H,4,11-12H2,1-3H3.

What are the key properties of 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 425.91 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).