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

C32H33NO5 — CID 18858134

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

1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18858134) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18858134
• Molecular Formula: C32H33NO5
• Molecular Weight: 511.62 g/mol
• Exact Mass: 511.24
• IUPAC Name: 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OCC
• InChI: InChI=1S/C32H33NO5/c1-6-8-15-37-26-14-11-22(18-27(26)36-7-2)29-28-30(34)24-16-19(3)9-13-25(24)38-31(28)32(35)33(29)23-12-10-20(4)21(5)17-23/h9-14,16-18,29H,6-8,15H2,1-5H3
• InChIKey: FDTZANCRDPFIGD-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.62
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18858134) is 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OCC.

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

The InChIKey is FDTZANCRDPFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-6-8-15-37-26-14-11-22(18-27(26)36-7-2)29-28-30(34)24-16-19(3)9-13-25(24)38-31(28)32(35)33(29)23-12-10-20(4)21(5)17-23/h9-14,16-18,29H,6-8,15H2,1-5H3.

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

1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.62 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18858134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).