1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H27NO6 — CID 18820076

About 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820076) has the molecular formula C32H27NO6 and a molecular weight of 521.57 g/mol. Its IUPAC name is 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820076
• Molecular Formula: C32H27NO6
• Molecular Weight: 521.57 g/mol
• Exact Mass: 521.18
• IUPAC Name: 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1
• InChI: InChI=1S/C32H27NO6/c1-3-36-27-17-22(12-14-26(27)38-19-21-8-5-4-6-9-21)29-28-30(34)24-16-20(2)11-13-25(24)39-31(28)32(35)33(29)18-23-10-7-15-37-23/h4-17,29H,3,18-19H2,1-2H3
• InChIKey: XRDRYYHUWCJBCT-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 82.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.57
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820076) is 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1.

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

The InChIKey is XRDRYYHUWCJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO6/c1-3-36-27-17-22(12-14-26(27)38-19-21-8-5-4-6-9-21)29-28-30(34)24-16-20(2)11-13-25(24)39-31(28)32(35)33(29)18-23-10-7-15-37-23/h4-17,29H,3,18-19H2,1-2H3.

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

1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 521.57 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).