1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C33H33NO6 — CID 19109012

About 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19109012) has the molecular formula C33H33NO6 and a molecular weight of 539.63 g/mol. Its IUPAC name is 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19109012
• Molecular Formula: C33H33NO6
• Molecular Weight: 539.63 g/mol
• Exact Mass: 539.23
• IUPAC Name: 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC
• InChI: InChI=1S/C33H33NO6/c1-6-16-39-25-13-10-23(19-26(25)38-7-2)30-29-31(35)28-21(4)17-20(3)18-27(28)40-32(29)33(36)34(30)15-14-22-8-11-24(37-5)12-9-22/h6,8-13,17-19,30H,1,7,14-16H2,2-5H3
• InChIKey: GLFSIGBEKGSMRV-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.63
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19109012) is 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC.

What is the InChIKey of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is GLFSIGBEKGSMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO6/c1-6-16-39-25-13-10-23(19-26(25)38-7-2)30-29-31(35)28-21(4)17-20(3)18-27(28)40-32(29)33(36)34(30)15-14-22-8-11-24(37-5)12-9-22/h6,8-13,17-19,30H,1,7,14-16H2,2-5H3.

What are the key properties of 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 539.63 g/mol, XLogP of 6.17, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19109012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).