1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20FNO5 — CID 4210008

IUPAC1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCO)cc1
InChIInChI=1S/C22H20FNO5/c1-2-28-15-7-4-13(5-8-15)19-18-20(26)16-12-14(23)6-9-17(16)29-21(18)22(27)24(19)10-3-11-25/h4-9,12,19,25H,2-3,10-11H2,1H3
InChIKeyUBJYJDRALXBSHM-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.26
Rot. Bonds6

About 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4210008) has the molecular formula C22H20FNO5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4210008
Molecular FormulaC22H20FNO5
Molecular Weight397.40 g/mol
Exact Mass397.13
IUPAC Name1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCO)cc1
InChIInChI=1S/C22H20FNO5/c1-2-28-15-7-4-13(5-8-15)19-18-20(26)16-12-14(23)6-9-17(16)29-21(18)22(27)24(19)10-3-11-25/h4-9,12,19,25H,2-3,10-11H2,1H3
InChIKeyUBJYJDRALXBSHM-UHFFFAOYSA-N
XLogP3.26
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-7-fluoro-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3399190
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168164
1-(4-butoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709468
1-(4-tert-butylphenyl)-7-fluoro-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3845359
7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706574
2-[2-(diethylamino)ethyl]-7-fluoro-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705518
2-(3-hydroxypropyl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3780511
2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2955020
2-[(1R)-1-(3-ethoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 7196611
(1S)-1-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7740800
1-(4-bromophenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855458
(1S)-7-chloro-2-[3-(diethylamino)propyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40837565

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4210008) is 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCO)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UBJYJDRALXBSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO5/c1-2-28-15-7-4-13(5-8-15)19-18-20(26)16-12-14(23)6-9-17(16)29-21(18)22(27)24(19)10-3-11-25/h4-9,12,19,25H,2-3,10-11H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 397.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-7-fluoro-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4210008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).