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

C27H23NO4 — CID 18856682

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

1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856682) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856682
• Molecular Formula: C27H23NO4
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.16
• IUPAC Name: 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)c2)c1
• InChI: InChI=1S/C27H23NO4/c1-15-7-5-9-19(11-15)28-24(18-8-6-10-20(14-18)31-4)23-25(29)21-12-16(2)17(3)13-22(21)32-26(23)27(28)30/h5-14,24H,1-4H3
• InChIKey: JRHUGXJDOIGJAH-UHFFFAOYSA-N
• XLogP: 5.48
• 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	425.48
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856682) is 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)c2)c1.

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

The InChIKey is JRHUGXJDOIGJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-15-7-5-9-19(11-15)28-24(18-8-6-10-20(14-18)31-4)23-25(29)21-12-16(2)17(3)13-22(21)32-26(23)27(28)30/h5-14,24H,1-4H3.

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

1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 425.48 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).