1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO5 — CID 18810842

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

1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810842) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810842
• Molecular Formula: C28H25NO5
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.17
• IUPAC Name: 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(OC)c2)cc1
• InChI: InChI=1S/C28H25NO5/c1-16-12-22-23(13-17(16)2)34-27-24(26(22)30)25(19-6-5-7-21(14-19)33-4)29(28(27)31)15-18-8-10-20(32-3)11-9-18/h5-14,25H,15H2,1-4H3
• InChIKey: FFFCARWYXQRYRP-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810842) is 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(OC)c2)cc1.

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

The InChIKey is FFFCARWYXQRYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-16-12-22-23(13-17(16)2)34-27-24(26(22)30)25(19-6-5-7-21(14-19)33-4)29(28(27)31)15-18-8-10-20(32-3)11-9-18/h5-14,25H,15H2,1-4H3.

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

1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).