7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H26ClNO4 — CID 18882571

About 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882571) has the molecular formula C29H26ClNO4 and a molecular weight of 487.98 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882571
• Molecular Formula: C29H26ClNO4
• Molecular Weight: 487.98 g/mol
• Exact Mass: 487.16
• IUPAC Name: 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)c1
• InChI: InChI=1S/C29H26ClNO4/c1-4-12-34-21-7-5-6-20(14-21)26-25-27(32)22-15-23(30)18(3)13-24(22)35-28(25)29(33)31(26)16-19-10-8-17(2)9-11-19/h5-11,13-15,26H,4,12,16H2,1-3H3
• InChIKey: LYIXVKFYDLWBSQ-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.98
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882571) is 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)c1.

What is the InChIKey of 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is LYIXVKFYDLWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO4/c1-4-12-34-21-7-5-6-20(14-21)26-25-27(32)22-15-23(30)18(3)13-24(22)35-28(25)29(33)31(26)16-19-10-8-17(2)9-11-19/h5-11,13-15,26H,4,12,16H2,1-3H3.

What are the key properties of 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 487.98 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-methyl-2-[(4-methylphenyl)methyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).