4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C24H18FNO5 — CID 46194574

IUPAC4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(Oc3ccc(F)cc3)cccc21
InChIInChI=1S/C24H18FNO5/c1-26-17-3-2-4-18(31-15-7-5-14(25)6-8-15)22(17)24(23(26)27)13-30-19-12-21-20(11-16(19)24)28-9-10-29-21/h2-8,11-12H,9-10,13H2,1H3
InChIKeyNNPNPRCCEDREOO-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.04
Rot. Bonds2

About 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 46194574) has the molecular formula C24H18FNO5 and a molecular weight of 419.41 g/mol. Its IUPAC name is 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID46194574
Molecular FormulaC24H18FNO5
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Name4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(Oc3ccc(F)cc3)cccc21
InChIInChI=1S/C24H18FNO5/c1-26-17-3-2-4-18(31-15-7-5-14(25)6-8-15)22(17)24(23(26)27)13-30-19-12-21-20(11-16(19)24)28-9-10-29-21/h2-8,11-12H,9-10,13H2,1H3
InChIKeyNNPNPRCCEDREOO-UHFFFAOYSA-N
XLogP4.04
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 46194574) is 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(Oc3ccc(F)cc3)cccc21.
What is the InChIKey of 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is NNPNPRCCEDREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO5/c1-26-17-3-2-4-18(31-15-7-5-14(25)6-8-15)22(17)24(23(26)27)13-30-19-12-21-20(11-16(19)24)28-9-10-29-21/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 419.41 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-fluorophenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 46194574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).