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

C27H23NO3 — CID 18852861

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

2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852861) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18852861
• Molecular Formula: C27H23NO3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.17
• IUPAC Name: 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C(C)C)cc2)c1
• InChI: InChI=1S/C27H23NO3/c1-16(2)18-11-13-19(14-12-18)24-23-25(29)21-9-4-5-10-22(21)31-26(23)27(30)28(24)20-8-6-7-17(3)15-20/h4-16,24H,1-3H3
• InChIKey: KOAPFQNUBGKCAB-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852861) is 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C(C)C)cc2)c1.

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

The InChIKey is KOAPFQNUBGKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3/c1-16(2)18-11-13-19(14-12-18)24-23-25(29)21-9-4-5-10-22(21)31-26(23)27(30)28(24)20-8-6-7-17(3)15-20/h4-16,24H,1-3H3.

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

2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 409.49 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).