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

C27H19Cl2NO4 — CID 18853600

About 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853600) has the molecular formula C27H19Cl2NO4 and a molecular weight of 492.36 g/mol. Its IUPAC name is 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18853600
• Molecular Formula: C27H19Cl2NO4
• Molecular Weight: 492.36 g/mol
• Exact Mass: 491.07
• IUPAC Name: 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1
• InChI: InChI=1S/C27H19Cl2NO4/c1-3-11-33-19-6-4-5-16(12-19)24-23-25(31)20-13-17(28)8-10-22(20)34-26(23)27(32)30(24)18-9-7-15(2)21(29)14-18/h3-10,12-14,24H,1,11H2,2H3
• InChIKey: OROANQHCKNHMJE-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.36
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853600) is 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1.

What is the InChIKey of 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OROANQHCKNHMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2NO4/c1-3-11-33-19-6-4-5-16(12-19)24-23-25(31)20-13-17(28)8-10-22(20)34-26(23)27(32)30(24)18-9-7-15(2)21(29)14-18/h3-10,12-14,24H,1,11H2,2H3.

What are the key properties of 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.36 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(3-chloro-4-methylphenyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).