7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C33H34ClNO6 — CID 18882794

About 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882794) has the molecular formula C33H34ClNO6 and a molecular weight of 576.09 g/mol. Its IUPAC name is 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882794
• Molecular Formula: C33H34ClNO6
• Molecular Weight: 576.09 g/mol
• Exact Mass: 575.21
• IUPAC Name: 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1
• InChI: InChI=1S/C33H34ClNO6/c1-5-6-7-15-40-23-10-8-9-22(18-23)30-29-31(36)24-19-25(34)20(2)16-27(24)41-32(29)33(37)35(30)14-13-21-11-12-26(38-3)28(17-21)39-4/h8-12,16-19,30H,5-7,13-15H2,1-4H3
• InChIKey: CXUBZPHWMGFHJP-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.09
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882794) is 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1.

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

The InChIKey is CXUBZPHWMGFHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClNO6/c1-5-6-7-15-40-23-10-8-9-22(18-23)30-29-31(36)24-19-25(34)20(2)16-27(24)41-32(29)33(37)35(30)14-13-21-11-12-26(38-3)28(17-21)39-4/h8-12,16-19,30H,5-7,13-15H2,1-4H3.

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

7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 576.09 g/mol, XLogP of 7.13, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).