7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H26ClNO5 — CID 18882587

About 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882587) has the molecular formula C30H26ClNO5 and a molecular weight of 515.99 g/mol. Its IUPAC name is 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882587
• Molecular Formula: C30H26ClNO5
• Molecular Weight: 515.99 g/mol
• Exact Mass: 515.15
• IUPAC Name: 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC
• InChI: InChI=1S/C30H26ClNO5/c1-5-12-36-23-11-10-20(14-25(23)35-4)27-26-28(33)21-15-22(31)18(3)13-24(21)37-29(26)30(34)32(27)16-19-8-6-17(2)7-9-19/h5-11,13-15,27H,1,12,16H2,2-4H3
• InChIKey: UGYUKSYSQQSDHK-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.99
LogP ≤ 5	6.38
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 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882587) is 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OC.

What is the InChIKey of 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is UGYUKSYSQQSDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO5/c1-5-12-36-23-11-10-20(14-25(23)35-4)27-26-28(33)21-15-22(31)18(3)13-24(21)37-29(26)30(34)32(27)16-19-8-6-17(2)7-9-19/h5-11,13-15,27H,1,12,16H2,2-4H3.

What are the key properties of 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 515.99 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).