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

C30H29NO5 — CID 18852810

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

1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852810) has the molecular formula C30H29NO5 and a molecular weight of 483.56 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18852810
• Molecular Formula: C30H29NO5
• Molecular Weight: 483.56 g/mol
• Exact Mass: 483.20
• IUPAC Name: 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)ccc1OCCC(C)C
• InChI: InChI=1S/C30H29NO5/c1-4-34-25-18-20(14-15-24(25)35-17-16-19(2)3)27-26-28(32)22-12-8-9-13-23(22)36-29(26)30(33)31(27)21-10-6-5-7-11-21/h5-15,18-19,27H,4,16-17H2,1-3H3
• InChIKey: FGFKBQKUJNBNIC-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.56
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852810) is 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccc2)ccc1OCCC(C)C.

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

The InChIKey is FGFKBQKUJNBNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO5/c1-4-34-25-18-20(14-15-24(25)35-17-16-19(2)3)27-26-28(32)22-12-8-9-13-23(22)36-29(26)30(33)31(27)21-10-6-5-7-11-21/h5-15,18-19,27H,4,16-17H2,1-3H3.

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

1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 483.56 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).