2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H21NO5 — CID 18852316

IUPAC2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(OC)c2)cc1
InChIInChI=1S/C26H21NO5/c1-3-31-18-13-11-17(12-14-18)27-23(16-7-6-8-19(15-16)30-2)22-24(28)20-9-4-5-10-21(20)32-25(22)26(27)29/h4-15,23H,3H2,1-2H3
InChIKeySYHQNHJEPWLLDY-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.95
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852316) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852316
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(OC)c2)cc1
InChIInChI=1S/C26H21NO5/c1-3-31-18-13-11-17(12-14-18)27-23(16-7-6-8-19(15-16)30-2)22-24(28)20-9-4-5-10-21(20)32-25(22)26(27)29/h4-15,23H,3H2,1-2H3
InChIKeySYHQNHJEPWLLDY-UHFFFAOYSA-N
XLogP4.95
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852309
7-chloro-1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853628
2-(4-ethoxyphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852018
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
1-(3-methoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3692677
1-(3-ethoxy-4-hydroxyphenyl)-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852271
1-(3-methoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3745078
2-(3-methoxyphenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852701
methyl 4-[2-(4-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18852531
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857521
2-(4-ethoxyphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857316
7-bromo-1-(3-ethoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854982

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852316) is 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(OC)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SYHQNHJEPWLLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-3-31-18-13-11-17(12-14-18)27-23(16-7-6-8-19(15-16)30-2)22-24(28)20-9-4-5-10-21(20)32-25(22)26(27)29/h4-15,23H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 427.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).