2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H22ClNO3 — CID 18858208

About 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18858208) has the molecular formula C27H22ClNO3 and a molecular weight of 443.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18858208
• Molecular Formula: C27H22ClNO3
• Molecular Weight: 443.93 g/mol
• Exact Mass: 443.13
• IUPAC Name: 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(c1cccc(Cl)c1)C3=O
• InChI: InChI=1S/C27H22ClNO3/c1-15(2)17-8-10-18(11-9-17)24-23-25(30)21-13-16(3)7-12-22(21)32-26(23)27(31)29(24)20-6-4-5-19(28)14-20/h4-15,24H,1-3H3
• InChIKey: AETPOCWSXUNVJY-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.93
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18858208) is 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(c1cccc(Cl)c1)C3=O.

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

The InChIKey is AETPOCWSXUNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClNO3/c1-15(2)17-8-10-18(11-9-17)24-23-25(30)21-13-16(3)7-12-22(21)32-26(23)27(31)29(24)20-6-4-5-19(28)14-20/h4-15,24H,1-3H3.

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

2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 443.93 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-7-methyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18858208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).