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

C24H16FNO4 — CID 4986784

IUPAC2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H16FNO4/c25-16-10-8-14(9-11-16)13-26-21(15-4-3-5-17(27)12-15)20-22(28)18-6-1-2-7-19(18)30-23(20)24(26)29/h1-12,21,27H,13H2
InChIKeyMIOWKEZARBQHDH-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.38
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4986784) has the molecular formula C24H16FNO4 and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4986784
Molecular FormulaC24H16FNO4
Molecular Weight401.39 g/mol
Exact Mass401.11
IUPAC Name2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H16FNO4/c25-16-10-8-14(9-11-16)13-26-21(15-4-3-5-17(27)12-15)20-22(28)18-6-1-2-7-19(18)30-23(20)24(26)29/h1-12,21,27H,13H2
InChIKeyMIOWKEZARBQHDH-UHFFFAOYSA-N
XLogP4.38
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437
2-[3-(Dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991372
7-Fluoro-1-phenyl-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663458
2-(2-(Dimethylamino)ethyl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663476
2-(3-(Diethylamino)propyl)-1-(2,5-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663590
2-[3-(Morpholin-4-yl)propyl]-1-[4-(propan-2-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663700
2-(2-(Diethylamino)ethyl)-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663940
1-(4-Methoxyphenyl)-2-(tetrahydrofuran-2-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664040
2-(2-(Diethylamino)ethyl)-1-(p-tolyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664441
1-(2,3-Dimethoxyphenyl)-2-(3-(dimethylamino)propyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664531
1-(3,4-Dimethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664682
2-(2-(Diethylamino)ethyl)-1-(3-methoxy-4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664910

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4986784) is 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MIOWKEZARBQHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO4/c25-16-10-8-14(9-11-16)13-26-21(15-4-3-5-17(27)12-15)20-22(28)18-6-1-2-7-19(18)30-23(20)24(26)29/h1-12,21,27H,13H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 401.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4986784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).