1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H20BrNO4 — CID 18856398

About 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856398) has the molecular formula C26H20BrNO4 and a molecular weight of 490.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856398
• Molecular Formula: C26H20BrNO4
• Molecular Weight: 490.35 g/mol
• Exact Mass: 489.06
• IUPAC Name: 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)c1
• InChI: InChI=1S/C26H20BrNO4/c1-14-10-20-21(11-15(14)2)32-25-22(24(20)29)23(16-6-4-7-17(27)12-16)28(26(25)30)18-8-5-9-19(13-18)31-3/h4-13,23H,1-3H3
• InChIKey: IRMHUTWEZHTSEM-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.35
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856398) is 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)c1.

What is the InChIKey of 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is IRMHUTWEZHTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrNO4/c1-14-10-20-21(11-15(14)2)32-25-22(24(20)29)23(16-6-4-7-17(27)12-16)28(26(25)30)18-8-5-9-19(13-18)31-3/h4-13,23H,1-3H3.

What are the key properties of 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 490.35 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).