7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H22FNO5 — CID 18856025

About 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856025) has the molecular formula C31H22FNO5 and a molecular weight of 507.52 g/mol. Its IUPAC name is 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856025
• Molecular Formula: C31H22FNO5
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.15
• IUPAC Name: 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(OCc3ccccc3)c2)c1
• InChI: InChI=1S/C31H22FNO5/c1-36-23-11-6-10-22(17-23)33-28(20-9-5-12-24(15-20)37-18-19-7-3-2-4-8-19)27-29(34)25-16-21(32)13-14-26(25)38-30(27)31(33)35/h2-17,28H,18H2,1H3
• InChIKey: FVUYSUHJGSPRPJ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856025) is 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc(OCc3ccccc3)c2)c1.

What is the InChIKey of 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FVUYSUHJGSPRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FNO5/c1-36-23-11-6-10-22(17-23)33-28(20-9-5-12-24(15-20)37-18-19-7-3-2-4-8-19)27-29(34)25-16-21(32)13-14-26(25)38-30(27)31(33)35/h2-17,28H,18H2,1H3.

What are the key properties of 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 507.52 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).