2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H24FNO4 — CID 43864143

About 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 43864143) has the molecular formula C32H24FNO4 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 43864143
• Molecular Formula: C32H24FNO4
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.17
• IUPAC Name: 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)C3c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C32H24FNO4/c1-19-15-20(2)27-26(16-19)38-31-28(30(27)35)29(34(32(31)36)18-21-11-13-23(33)14-12-21)22-7-6-10-25(17-22)37-24-8-4-3-5-9-24/h3-17,29H,18H2,1-2H3
• InChIKey: CFENJBOQSCSRRJ-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 43864143) is 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccc(F)cc1)C3c1cccc(Oc2ccccc2)c1.

What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is CFENJBOQSCSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FNO4/c1-19-15-20(2)27-26(16-19)38-31-28(30(27)35)29(34(32(31)36)18-21-11-13-23(33)14-12-21)22-7-6-10-25(17-22)37-24-8-4-3-5-9-24/h3-17,29H,18H2,1-2H3.

What are the key properties of 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 505.55 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 43864143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).