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

C20H16FNO4 — CID 665442

IUPAC1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO
InChIInChI=1S/C20H16FNO4/c21-13-6-3-5-12(11-13)17-16-18(24)14-7-1-2-8-15(14)26-19(16)20(25)22(17)9-4-10-23/h1-3,5-8,11,17,23H,4,9-10H2
InChIKeyPFKSXQGOWYXOQW-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.86
Rot. Bonds4

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

1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 665442) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID665442
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO
InChIInChI=1S/C20H16FNO4/c21-13-6-3-5-12(11-13)17-16-18(24)14-7-1-2-8-15(14)26-19(16)20(25)22(17)9-4-10-23/h1-3,5-8,11,17,23H,4,9-10H2
InChIKeyPFKSXQGOWYXOQW-UHFFFAOYSA-N
XLogP2.86
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 665442) is 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO.
What is the InChIKey of 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PFKSXQGOWYXOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-13-6-3-5-12(11-13)17-16-18(24)14-7-1-2-8-15(14)26-19(16)20(25)22(17)9-4-10-23/h1-3,5-8,11,17,23H,4,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 353.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(3-hydroxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 665442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).