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

C25H18BrNO4 — CID 18854922

IUPAC7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc(O)c2)cc1
InChIInChI=1S/C25H18BrNO4/c1-2-14-6-9-17(10-7-14)27-22(15-4-3-5-18(28)12-15)21-23(29)19-13-16(26)8-11-20(19)31-24(21)25(27)30/h3-13,22,28H,2H2,1H3
InChIKeyCYSWIDBUOPOEKC-UHFFFAOYSA-N
MW476.33 g/mol
LogP5.57
Rot. Bonds3

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

7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18854922) has the molecular formula C25H18BrNO4 and a molecular weight of 476.33 g/mol. Its IUPAC name is 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18854922
Molecular FormulaC25H18BrNO4
Molecular Weight476.33 g/mol
Exact Mass475.04
IUPAC Name7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc(O)c2)cc1
InChIInChI=1S/C25H18BrNO4/c1-2-14-6-9-17(10-7-14)27-22(15-4-3-5-18(28)12-15)21-23(29)19-13-16(26)8-11-20(19)31-24(21)25(27)30/h3-13,22,28H,2H2,1H3
InChIKeyCYSWIDBUOPOEKC-UHFFFAOYSA-N
XLogP5.57
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.33
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2967503
methyl 4-[7-bromo-2-(4-ethylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18854886
1-(4-bromophenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857462
7-bromo-1-(3-hydroxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706965
7-bromo-1-(3-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854982
2-(4-acetylphenyl)-7-fluoro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855932
7-bromo-1-(3-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4996012
2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852125
7-bromo-2-(4-ethoxyphenyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854307
7-bromo-1,2-bis(3-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854898
2-(3,4-dimethylphenyl)-1-(3-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857918
7-bromo-1-(3-butoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854966

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18854922) is 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc(O)c2)cc1.
What is the InChIKey of 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CYSWIDBUOPOEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO4/c1-2-14-6-9-17(10-7-14)27-22(15-4-3-5-18(28)12-15)21-23(29)19-13-16(26)8-11-20(19)31-24(21)25(27)30/h3-13,22,28H,2H2,1H3.
What are the key properties of 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 476.33 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18854922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).