7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21BrClNO6 — CID 18810537

About 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810537) has the molecular formula C27H21BrClNO6 and a molecular weight of 570.82 g/mol. Its IUPAC name is 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810537
• Molecular Formula: C27H21BrClNO6
• Molecular Weight: 570.82 g/mol
• Exact Mass: 569.02
• IUPAC Name: 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(OC)c1OC
• InChI: InChI=1S/C27H21BrClNO6/c1-33-20-10-15(11-21(34-2)25(20)35-3)23-22-24(31)17-12-16(28)8-9-19(17)36-26(22)27(32)30(23)13-14-6-4-5-7-18(14)29/h4-12,23H,13H2,1-3H3
• InChIKey: GGCVUDGZZMRGKZ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.82
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810537) is 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc(OC)c1OC.

What is the InChIKey of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is GGCVUDGZZMRGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrClNO6/c1-33-20-10-15(11-21(34-2)25(20)35-3)23-22-24(31)17-12-16(28)8-9-19(17)36-26(22)27(32)30(23)13-14-6-4-5-7-18(14)29/h4-12,23H,13H2,1-3H3.

What are the key properties of 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 570.82 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[(2-chlorophenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).