2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H18BrNO5 — CID 18852267

IUPAC2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Br)c2)ccc1O
InChIInChI=1S/C25H18BrNO5/c1-2-31-20-12-14(10-11-18(20)28)22-21-23(29)17-8-3-4-9-19(17)32-24(21)25(30)27(22)16-7-5-6-15(26)13-16/h3-13,22,28H,2H2,1H3
InChIKeyYLKVDZGKOMUCJU-UHFFFAOYSA-N
MW492.33 g/mol
LogP5.41
Rot. Bonds4

About 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852267) has the molecular formula C25H18BrNO5 and a molecular weight of 492.33 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852267
Molecular FormulaC25H18BrNO5
Molecular Weight492.33 g/mol
Exact Mass491.04
IUPAC Name2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Br)c2)ccc1O
InChIInChI=1S/C25H18BrNO5/c1-2-31-20-12-14(10-11-18(20)28)22-21-23(29)17-8-3-4-9-19(17)32-24(21)25(30)27(22)16-7-5-6-15(26)13-16/h3-13,22,28H,2H2,1H3
InChIKeyYLKVDZGKOMUCJU-UHFFFAOYSA-N
XLogP5.41
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857625
1-(3-ethoxy-4-hydroxyphenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852271
2-(4-bromophenyl)-7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853257
2-(4-bromophenyl)-1-(3-ethoxy-4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852741
ethyl 4-[7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18854621
2-(3-chlorophenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852726
2-(3-bromophenyl)-1-(4-butoxy-3-ethoxyphenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853783
1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706025
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2224339
butyl 4-[7-bromo-1-(3-ethoxy-4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18854610
2-(3-bromophenyl)-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856183
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852267) is 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Br)c2)ccc1O.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YLKVDZGKOMUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO5/c1-2-31-20-12-14(10-11-18(20)28)22-21-23(29)17-8-3-4-9-19(17)32-24(21)25(30)27(22)16-7-5-6-15(26)13-16/h3-13,22,28H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.33 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-ethoxy-4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).