CHEBI:38085 - 2-benzofuran-1(3H)-one

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 2-benzofuran-1(3H)-one
ChEBI ID CHEBI:38085
ChEBI ASCII Name 2-benzofuran-1(3H)-one
Definition A γ-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H6O2
Net Charge 0
Average Mass 134.13200
InChI InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
InChIKey WNZQDUSMALZDQF-UHFFFAOYSA-N
SMILES O=C1OCc2ccccc12
ChEBI Ontology
Outgoing 2-benzofuran-1(3H)-one (CHEBI:38085) is a γ-lactone (CHEBI:37581)
2-benzofuran-1(3H)-one (CHEBI:38085) is a 2-benzofurans (CHEBI:38831)
Incoming (Z)-3-butylidene-7-hydroxyphthalide (CHEBI:1458) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
(Z)-3-butylidenephthalide (CHEBI:68233) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
bromosulfophthalein (CHEBI:63836) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
bromosulfophthalein sodium (CHEBI:63827) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
phenolphthalein (CHEBI:34914) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
IUPAC Name
2-benzofuran-1(3H)-one
Synonyms Sources
1(3H)-isobenzofuranone NIST Chemistry WebBook
1-Phthalanone ChemIDplus
2-Hydroxymethylbenzoic acid, gamma-lactone ChemIDplus
3-oxo-1,3-dihydro-isobenzofuran ChEBI
isobenzofuranone ChEBI
phthalide ChemIDplus
Phthalolactone ChemIDplus
Database Links Databases
HMDB32469 HMDB
Phthalide Wikipedia
View more database links
Registry Numbers Types Sources
114632 Reaxys Registry Number Reaxys
87-41-2 CAS Registry Number ChemIDplus
87-41-2 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
23462848 PubMed citation CiteXplore
Last Modified
22 May 2014