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

C31H22ClNO4 — CID 18809795

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

2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809795) has the molecular formula C31H22ClNO4 and a molecular weight of 507.97 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18809795
• Molecular Formula: C31H22ClNO4
• Molecular Weight: 507.97 g/mol
• Exact Mass: 507.12
• IUPAC Name: 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Oc2ccccc2)c1)N(Cc1ccccc1Cl)C3=O
• InChI: InChI=1S/C31H22ClNO4/c1-19-14-15-26-24(16-19)29(34)27-28(20-9-7-12-23(17-20)36-22-10-3-2-4-11-22)33(31(35)30(27)37-26)18-21-8-5-6-13-25(21)32/h2-17,28H,18H2,1H3
• InChIKey: RULKSUJQGMETOD-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 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809795) is 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(Oc2ccccc2)c1)N(Cc1ccccc1Cl)C3=O.

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

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

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

2-[(2-chlorophenyl)methyl]-7-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 2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).