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

C26H21NO4 — CID 18856485

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

1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856485) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856485
• Molecular Formula: C26H21NO4
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.15
• IUPAC Name: 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(O)cc2)c1
• InChI: InChI=1S/C26H21NO4/c1-14-5-4-6-18(11-14)27-23(17-7-9-19(28)10-8-17)22-24(29)20-12-15(2)16(3)13-21(20)31-25(22)26(27)30/h4-13,23,28H,1-3H3
• InChIKey: JUUPKGMNVVYBKA-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 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856485) is 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2ccc(O)cc2)c1.

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

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

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

1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-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 1-(4-hydroxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).