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

C31H22ClNO4 — CID 18810032

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

7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810032) has the molecular formula C31H22ClNO4 and a molecular weight of 507.97 g/mol. Its IUPAC name is 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810032
• Molecular Formula: C31H22ClNO4
• Molecular Weight: 507.97 g/mol
• Exact Mass: 507.12
• IUPAC Name: 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc(Oc3ccccc3)c2)cc1
• InChI: InChI=1S/C31H22ClNO4/c1-19-10-12-20(13-11-19)18-33-28(21-6-5-9-24(16-21)36-23-7-3-2-4-8-23)27-29(34)25-17-22(32)14-15-26(25)37-30(27)31(33)35/h2-17,28H,18H2,1H3
• InChIKey: QKGKOQMTLJYGTM-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.97
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810032) is 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc(Oc3ccccc3)c2)cc1.

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

The InChIKey is QKGKOQMTLJYGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22ClNO4/c1-19-10-12-20(13-11-19)18-33-28(21-6-5-9-24(16-21)36-23-7-3-2-4-8-23)27-29(34)25-17-22(32)14-15-26(25)37-30(27)31(33)35/h2-17,28H,18H2,1H3.

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

7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 507.97 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[(4-methylphenyl)methyl]-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).