1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

C25H20FNO4 — CID 71036140

IUPAC1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCc1cccc(F)c1CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C25H20FNO4/c1-15-5-4-7-19(26)16(15)13-27-20-8-3-2-6-17(20)25(24(27)28)14-31-21-12-23-22(11-18(21)25)29-9-10-30-23/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyDYWVRARDZRSLEC-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.13
Rot. Bonds2

About 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one

1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (PubChem CID 71036140) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
PubChem CID71036140
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Name1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one
SMILESCc1cccc(F)c1CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2ccccc21
InChIInChI=1S/C25H20FNO4/c1-15-5-4-7-19(26)16(15)13-27-20-8-3-2-6-17(20)25(24(27)28)14-31-21-12-23-22(11-18(21)25)29-9-10-30-23/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyDYWVRARDZRSLEC-UHFFFAOYSA-N
XLogP4.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one (CID 71036140) is 1'-[(2-fluoro-6-methylphenyl)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'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is Cc1cccc(F)c1CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2ccccc21.
What is the InChIKey of 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
The InChIKey is DYWVRARDZRSLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-15-5-4-7-19(26)16(15)13-27-20-8-3-2-6-17(20)25(24(27)28)14-31-21-12-23-22(11-18(21)25)29-9-10-30-23/h2-8,11-12H,9-10,13-14H2,1H3.
What are the key properties of 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one?
1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one has a molecular weight of 417.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-fluoro-6-methylphenyl)methyl]spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-2'-one is sourced from PubChem (CID 71036140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).