7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one

C25H18FNO5 — CID 3933370

IUPAC7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one
SMILESO=C(COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)N1CCc2ccccc21
InChIInChI=1S/C25H18FNO5/c26-19-6-2-4-8-21(19)32-23-14-31-22-13-17(9-10-18(22)25(23)29)30-15-24(28)27-12-11-16-5-1-3-7-20(16)27/h1-10,13-14H,11-12,15H2
InChIKeyLRNAFSQVKFBYGO-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.69
Rot. Bonds5

About 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one

7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one (PubChem CID 3933370) has the molecular formula C25H18FNO5 and a molecular weight of 431.42 g/mol. Its IUPAC name is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one.

Molecular Properties

Compound Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one
PubChem CID3933370
Molecular FormulaC25H18FNO5
Molecular Weight431.42 g/mol
Exact Mass431.12
IUPAC Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one
SMILESO=C(COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)N1CCc2ccccc21
InChIInChI=1S/C25H18FNO5/c26-19-6-2-4-8-21(19)32-23-14-31-22-13-17(9-10-18(22)25(23)29)30-15-24(28)27-12-11-16-5-1-3-7-20(16)27/h1-10,13-14H,11-12,15H2
InChIKeyLRNAFSQVKFBYGO-UHFFFAOYSA-N
XLogP4.69
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one?
The IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one (CID 3933370) is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one.
What is the SMILES notation for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one?
The canonical SMILES for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one is O=C(COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)N1CCc2ccccc21.
What is the InChIKey of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one?
The InChIKey is LRNAFSQVKFBYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO5/c26-19-6-2-4-8-21(19)32-23-14-31-22-13-17(9-10-18(22)25(23)29)30-15-24(28)27-12-11-16-5-1-3-7-20(16)27/h1-10,13-14H,11-12,15H2.
What are the key properties of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one?
7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one has a molecular weight of 431.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-(2-fluorophenoxy)chromen-4-one is sourced from PubChem (CID 3933370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).