7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H15BrFNO5 — CID 18854596

IUPAC7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)ccc1O
InChIInChI=1S/C24H15BrFNO5/c1-31-19-10-12(2-8-17(19)28)21-20-22(29)16-11-13(25)3-9-18(16)32-23(20)24(30)27(21)15-6-4-14(26)5-7-15/h2-11,21,28H,1H3
InChIKeyNMXMDOKOTMUZGV-UHFFFAOYSA-N
MW496.29 g/mol
LogP5.16
Rot. Bonds3

About 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854596) has the molecular formula C24H15BrFNO5 and a molecular weight of 496.29 g/mol. Its IUPAC name is 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854596
Molecular FormulaC24H15BrFNO5
Molecular Weight496.29 g/mol
Exact Mass495.01
IUPAC Name7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)ccc1O
InChIInChI=1S/C24H15BrFNO5/c1-31-19-10-12(2-8-17(19)28)21-20-22(29)16-11-13(25)3-9-18(16)32-23(20)24(30)27(21)15-6-4-14(26)5-7-15/h2-11,21,28H,1H3
InChIKeyNMXMDOKOTMUZGV-UHFFFAOYSA-N
XLogP5.16
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.29
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854596) is 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)ccc1O.
What is the InChIKey of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NMXMDOKOTMUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFNO5/c1-31-19-10-12(2-8-17(19)28)21-20-22(29)16-11-13(25)3-9-18(16)32-23(20)24(30)27(21)15-6-4-14(26)5-7-15/h2-11,21,28H,1H3.
What are the key properties of 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 496.29 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-fluorophenyl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).