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

C25H19NO4 — CID 18852125

IUPAC2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(O)cc2)cc1
InChIInChI=1S/C25H19NO4/c1-2-15-7-11-17(12-8-15)26-22(16-9-13-18(27)14-10-16)21-23(28)19-5-3-4-6-20(19)30-24(21)25(26)29/h3-14,22,27H,2H2,1H3
InChIKeyWLALISDIPWKUQK-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.81
Rot. Bonds3

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

2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852125) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852125
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(O)cc2)cc1
InChIInChI=1S/C25H19NO4/c1-2-15-7-11-17(12-8-15)26-22(16-9-13-18(27)14-10-16)21-23(28)19-5-3-4-6-20(19)30-24(21)25(26)29/h3-14,22,27H,2H2,1H3
InChIKeyWLALISDIPWKUQK-UHFFFAOYSA-N
XLogP4.81
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(4-ethylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18852535
7-chloro-1-(4-chlorophenyl)-2-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852979
1-(4-methylphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18851992
(1R)-1-(4-ethylphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638092
(1S)-1-(4-ethylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315501
1-(4-hydroxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857468
7-bromo-2-(4-ethylphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18854922
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4503542
1-(4-ethylphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855631
methyl 4-[2-(4-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 18852531
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
1-(4-bromophenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857462

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852125) is 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WLALISDIPWKUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c1-2-15-7-11-17(12-8-15)26-22(16-9-13-18(27)14-10-16)21-23(28)19-5-3-4-6-20(19)30-24(21)25(26)29/h3-14,22,27H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 397.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).