7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H26ClNO5 — CID 18879708

About 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18879708) has the molecular formula C25H26ClNO5 and a molecular weight of 455.94 g/mol. Its IUPAC name is 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18879708
• Molecular Formula: C25H26ClNO5
• Molecular Weight: 455.94 g/mol
• Exact Mass: 455.15
• IUPAC Name: 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)ccc1OCCC(C)C
• InChI: InChI=1S/C25H26ClNO5/c1-5-30-20-12-15(6-8-19(20)31-11-10-14(2)3)22-21-23(28)17-13-16(26)7-9-18(17)32-24(21)25(29)27(22)4/h6-9,12-14,22H,5,10-11H2,1-4H3
• InChIKey: XCVVDENFQMDQHI-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.94
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18879708) is 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)ccc1OCCC(C)C.

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

The InChIKey is XCVVDENFQMDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO5/c1-5-30-20-12-15(6-8-19(20)31-11-10-14(2)3)22-21-23(28)17-13-16(26)7-9-18(17)32-24(21)25(29)27(22)4/h6-9,12-14,22H,5,10-11H2,1-4H3.

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

7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.94 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18879708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).