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

C25H21NO6 — CID 59352567

IUPAC4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCOc1cccc(Oc2cccc3c2C2(COc4cc5c(cc42)OCCO5)C(=O)N3C)c1
InChIInChI=1S/C25H21NO6/c1-26-18-7-4-8-19(32-16-6-3-5-15(11-16)28-2)23(18)25(24(26)27)14-31-20-13-22-21(12-17(20)25)29-9-10-30-22/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyTVWLJDSOAQXWGB-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.91
Rot. Bonds3

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

4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352567) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352567
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCOc1cccc(Oc2cccc3c2C2(COc4cc5c(cc42)OCCO5)C(=O)N3C)c1
InChIInChI=1S/C25H21NO6/c1-26-18-7-4-8-19(32-16-6-3-5-15(11-16)28-2)23(18)25(24(26)27)14-31-20-13-22-21(12-17(20)25)29-9-10-30-22/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyTVWLJDSOAQXWGB-UHFFFAOYSA-N
XLogP3.91
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352567) is 4'-(3-methoxyphenoxy)-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'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is COc1cccc(Oc2cccc3c2C2(COc4cc5c(cc42)OCCO5)C(=O)N3C)c1.
What is the InChIKey of 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is TVWLJDSOAQXWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-26-18-7-4-8-19(32-16-6-3-5-15(11-16)28-2)23(18)25(24(26)27)14-31-20-13-22-21(12-17(20)25)29-9-10-30-22/h3-8,11-13H,9-10,14H2,1-2H3.
What are the key properties of 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 431.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(3-methoxyphenoxy)-1'-methylspiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).