8-hydroxy-8-(6-hydroxy-2,3-dihydrobenzofuran-5-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-one

HCID 67357433

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1N(Cc2ccc(C(F)(F)F)o2)c2cc3c(cc2C1(O)c1cc2c(cc1O)OCC2)OCCO3
InChIKey: FCHRAUCCLGQNQM-UHFFFAOYSA-N
Molecular formula: C24H18F3NO7
Average molar mass: 489.4 g/mol

Names & identifiers

Preferred name: 8-hydroxy-8-(6-hydroxy-2,3-dihydrobenzofuran-5-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-one
IUPAC: 8-hydroxy-8-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-6-[[5-(trifluoromethyl)furan-2-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indol-7-one

Names & synonyms

8-hydroxy-8-(6-hydroxy-2,3-dihydrobenzofuran-5-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-oneSCHEMBL2306641

Database identifiers

PubChem CID: 67357433

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 3
Heavy atoms: 35
Formal charge: 0
Complexity: 829

Related reactions

12 records

New reaction record

HRID 105689As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 299113As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1140916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1407424As productuspto-grants-2014_12

HRID 1407425As reactantuspto-grants-2014_12

HRID 1407430As reactantuspto-grants-2014_12

HRID 1965276As productuspto-grants-2013_04

HRID 1965277As reactantuspto-grants-2013_04

Compound notes

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