Basic information
- CAS
56014-69-8- Standard SMILES
CC(C)/C=C1/OC(=O)c2ccccc21- InChIKey
LYSNVWBBICAAMS-YRNVUSSQSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Overview
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is an isobenzofuranone.
Names & identifiers
- Preferred name
- (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
- IUPAC
- (3E)-3-(2-methylpropylidene)-2-benzofuran-1-one
Names & synonyms
3-Isobutylidenephthalide(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranoneEINECS 289-423-11(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-56014-69-82-Methylpropylidenephthalide (E)(E)-3-Isobutylidenephthalide88542-70-53B5LZS9A3Htrans-3-Isobutylidene phthalide(Z)-3-(Isobutylidene)phthalide2-Methylpropylidenephthalide (Z)
Show more names
DTXSID10886190CHEBI:172087LYSNVWBBICAAMS-YRNVUSSQSA-N3-Isobutylidene phthalide, trans-(3E)-3-(2-methylpropylidene)-1,3-dihydro-2-benzofuran-1-oneEINECS 259-945-4(3E)-3-(2-methylpropylidene)-2-benzouran-1-one(3E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
Database identifiers
- CAS
56014-69-8、56014-87-0、88542-70-5- PubChem CID
- 6436620
- DTXSID
DTXSID10886190- ChEBI
CHEBI:172087- UNII
- 3B5LZS9A3H
- EC Number
- 259-944-9、259-945-4、289-423-1
- Nikkaji
- J167.354H、J296.542I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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