2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H21NO4 — CID 18857918

About 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857918) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18857918
• Molecular Formula: C26H21NO4
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.15
• IUPAC Name: 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(c1ccc(C)c(C)c1)C3=O
• InChI: InChI=1S/C26H21NO4/c1-14-7-10-21-20(11-14)24(29)22-23(17-5-4-6-19(28)13-17)27(26(30)25(22)31-21)18-9-8-15(2)16(3)12-18/h4-13,23,28H,1-3H3
• InChIKey: HBWYBFCKFHGSAQ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857918) is 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(c1ccc(C)c(C)c1)C3=O.

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

The InChIKey is HBWYBFCKFHGSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c1-14-7-10-21-20(11-14)24(29)22-23(17-5-4-6-19(28)13-17)27(26(30)25(22)31-21)18-9-8-15(2)16(3)12-18/h4-13,23,28H,1-3H3.

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

2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 411.46 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).