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

C24H22FNO5 — CID 6624903

IUPAC1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC2CCCO2)cc1
InChIInChI=1S/C24H22FNO5/c1-2-29-16-8-5-14(6-9-16)21-20-22(27)18-12-15(25)7-10-19(18)31-23(20)24(28)26(21)13-17-4-3-11-30-17/h5-10,12,17,21H,2-4,11,13H2,1H3
InChIKeySHCAPGQWUJGASO-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.05
Rot. Bonds5

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

1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 6624903) has the molecular formula C24H22FNO5 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID6624903
Molecular FormulaC24H22FNO5
Molecular Weight423.44 g/mol
Exact Mass423.15
IUPAC Name1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC2CCCO2)cc1
InChIInChI=1S/C24H22FNO5/c1-2-29-16-8-5-14(6-9-16)21-20-22(27)18-12-15(25)7-10-19(18)31-23(20)24(28)26(21)13-17-4-3-11-30-17/h5-10,12,17,21H,2-4,11,13H2,1H3
InChIKeySHCAPGQWUJGASO-UHFFFAOYSA-N
XLogP4.05
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 6624903) is 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CC2CCCO2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SHCAPGQWUJGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO5/c1-2-29-16-8-5-14(6-9-16)21-20-22(27)18-12-15(25)7-10-19(18)31-23(20)24(28)26(21)13-17-4-3-11-30-17/h5-10,12,17,21H,2-4,11,13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 423.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-7-fluoro-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 6624903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).