4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C23H16F3NO6 — CID 59263397

IUPAC4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCOc1cccc2c1C1(COc3cc4c(cc31)OCO4)C(=O)N2Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C23H16F3NO6/c1-29-15-4-2-3-14-20(15)22(10-30-16-8-18-17(7-13(16)22)31-11-32-18)21(28)27(14)9-12-5-6-19(33-12)23(24,25)26/h2-8H,9-11H2,1H3
InChIKeyQJJLYNOLBHHGGY-UHFFFAOYSA-N
MW459.38 g/mol
LogP4.26
Rot. Bonds3

About 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 59263397) has the molecular formula C23H16F3NO6 and a molecular weight of 459.38 g/mol. Its IUPAC name is 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID59263397
Molecular FormulaC23H16F3NO6
Molecular Weight459.38 g/mol
Exact Mass459.09
IUPAC Name4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCOc1cccc2c1C1(COc3cc4c(cc31)OCO4)C(=O)N2Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C23H16F3NO6/c1-29-15-4-2-3-14-20(15)22(10-30-16-8-18-17(7-13(16)22)31-11-32-18)21(28)27(14)9-12-5-6-19(33-12)23(24,25)26/h2-8H,9-11H2,1H3
InChIKeyQJJLYNOLBHHGGY-UHFFFAOYSA-N
XLogP4.26
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 59263397) is 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is COc1cccc2c1C1(COc3cc4c(cc31)OCO4)C(=O)N2Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is QJJLYNOLBHHGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO6/c1-29-15-4-2-3-14-20(15)22(10-30-16-8-18-17(7-13(16)22)31-11-32-18)21(28)27(14)9-12-5-6-19(33-12)23(24,25)26/h2-8H,9-11H2,1H3.
What are the key properties of 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 459.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 59263397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).