1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H24BrNO4 — CID 18890635

About 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890635) has the molecular formula C28H24BrNO4 and a molecular weight of 518.41 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18890635
• Molecular Formula: C28H24BrNO4
• Molecular Weight: 518.41 g/mol
• Exact Mass: 517.09
• IUPAC Name: 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(CCN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3C2c2cccc(Br)c2)cc1
• InChI: InChI=1S/C28H24BrNO4/c1-16-13-17(2)23-22(14-16)34-27-24(26(23)31)25(19-5-4-6-20(29)15-19)30(28(27)32)12-11-18-7-9-21(33-3)10-8-18/h4-10,13-15,25H,11-12H2,1-3H3
• InChIKey: AHGICYVRMRMQFD-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.41
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890635) is 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3C2c2cccc(Br)c2)cc1.

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

The InChIKey is AHGICYVRMRMQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO4/c1-16-13-17(2)23-22(14-16)34-27-24(26(23)31)25(19-5-4-6-20(29)15-19)30(28(27)32)12-11-18-7-9-21(33-3)10-8-18/h4-10,13-15,25H,11-12H2,1-3H3.

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

1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 518.41 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).