1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C26H23NO6 — CID 59352709

IUPAC1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCOc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)cc(OC)c1
InChIInChI=1S/C26H23NO6/c1-29-17-9-16(10-18(11-17)30-2)14-27-21-6-4-3-5-19(21)26(25(27)28)15-33-22-13-24-23(12-20(22)26)31-7-8-32-24/h3-6,9-13H,7-8,14-15H2,1-2H3
InChIKeyUKPORLQBCFJXBM-UHFFFAOYSA-N
MW445.47 g/mol
LogP3.70
Rot. Bonds4

About 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 59352709) has the molecular formula C26H23NO6 and a molecular weight of 445.47 g/mol. Its IUPAC name is 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID59352709
Molecular FormulaC26H23NO6
Molecular Weight445.47 g/mol
Exact Mass445.15
IUPAC Name1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCOc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)cc(OC)c1
InChIInChI=1S/C26H23NO6/c1-29-17-9-16(10-18(11-17)30-2)14-27-21-6-4-3-5-19(21)26(25(27)28)15-33-22-13-24-23(12-20(22)26)31-7-8-32-24/h3-6,9-13H,7-8,14-15H2,1-2H3
InChIKeyUKPORLQBCFJXBM-UHFFFAOYSA-N
XLogP3.70
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 59352709) is 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is COc1cc(CN2C(=O)C3(COc4cc5c(cc43)OCCO5)c3ccccc32)cc(OC)c1.
What is the InChIKey of 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is UKPORLQBCFJXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6/c1-29-17-9-16(10-18(11-17)30-2)14-27-21-6-4-3-5-19(21)26(25(27)28)15-33-22-13-24-23(12-20(22)26)31-7-8-32-24/h3-6,9-13H,7-8,14-15H2,1-2H3.
What are the key properties of 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 445.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethoxyphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 59352709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).