2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H20ClNO5 — CID 18852605

About 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852605) has the molecular formula C27H20ClNO5 and a molecular weight of 473.91 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18852605
• Molecular Formula: C27H20ClNO5
• Molecular Weight: 473.91 g/mol
• Exact Mass: 473.10
• IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1
• InChI: InChI=1S/C27H20ClNO5/c1-3-13-33-18-8-6-7-16(14-18)24-23-25(30)19-9-4-5-10-21(19)34-26(23)27(31)29(24)17-11-12-22(32-2)20(28)15-17/h3-12,14-15,24H,1,13H2,2H3
• InChIKey: JVRZPCJQWOOLIZ-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.91
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852605) is 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1.

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

The InChIKey is JVRZPCJQWOOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClNO5/c1-3-13-33-18-8-6-7-16(14-18)24-23-25(30)19-9-4-5-10-21(19)34-26(23)27(31)29(24)17-11-12-22(32-2)20(28)15-17/h3-12,14-15,24H,1,13H2,2H3.

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

2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 473.91 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-methoxyphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).