7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H13BrF3NO4 — CID 18854468

About 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854468) has the molecular formula C24H13BrF3NO4 and a molecular weight of 516.27 g/mol. Its IUPAC name is 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18854468
• Molecular Formula: C24H13BrF3NO4
• Molecular Weight: 516.27 g/mol
• Exact Mass: 515.00
• IUPAC Name: 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H13BrF3NO4/c25-14-6-9-18-17(11-14)21(31)19-20(12-4-7-16(30)8-5-12)29(23(32)22(19)33-18)15-3-1-2-13(10-15)24(26,27)28/h1-11,20,30H
• InChIKey: RDFCVEJYQSIXPB-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.27
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854468) is 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccc(O)cc2)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is RDFCVEJYQSIXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrF3NO4/c25-14-6-9-18-17(11-14)21(31)19-20(12-4-7-16(30)8-5-12)29(23(32)22(19)33-18)15-3-1-2-13(10-15)24(26,27)28/h1-11,20,30H.

What are the key properties of 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 516.27 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).