5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H31NO5 — CID 18881276

About 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18881276) has the molecular formula C31H31NO5 and a molecular weight of 497.59 g/mol. Its IUPAC name is 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18881276
• Molecular Formula: C31H31NO5
• Molecular Weight: 497.59 g/mol
• Exact Mass: 497.22
• IUPAC Name: 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(Oc2ccccc2)c1)N(CCCOC(C)C)C3=O
• InChI: InChI=1S/C31H31NO5/c1-19(2)35-15-9-14-32-27(22-10-8-13-24(18-22)36-23-11-6-5-7-12-23)26-28(33)25-17-20(3)16-21(4)29(25)37-30(26)31(32)34/h5-8,10-13,16-19,27H,9,14-15H2,1-4H3
• InChIKey: CWGVAUAOJPEZCR-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.59
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18881276) is 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1cccc(Oc2ccccc2)c1)N(CCCOC(C)C)C3=O.

What is the InChIKey of 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is CWGVAUAOJPEZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO5/c1-19(2)35-15-9-14-32-27(22-10-8-13-24(18-22)36-23-11-6-5-7-12-23)26-28(33)25-17-20(3)16-21(4)29(25)37-30(26)31(32)34/h5-8,10-13,16-19,27H,9,14-15H2,1-4H3.

What are the key properties of 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 497.59 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18881276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).