Basic information
- CAS
143114-82-3- Standard SMILES
COc1c(C)c(OCC=C(C)C)cc2c1CN(CCO)C2=O- InChIKey
RKLUTDADUQVUMB-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Overview
2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3H-isoindol-1-one has been reported in Alternaria porri with data available.
Names & identifiers
- Preferred name
- Porritoxin
- IUPAC
- 2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)-3H-isoindol-1-one
Names & synonyms
Porritoxin143114-82-32-(2-hydroxyethyl)-4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)-3H-isoindol-1-oneDTXSID601623152-(2'-Hydroxyethyl)-4-methoxy-5-methyl-6-(3''-methyl-2''-butenyloxy)-2,3-dihydro-1H-isoindol-1-one2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-(3-methylbut-2-enoxy)isoindolin-1-oneRefChem:175311DTXCID0084806AC1L43R8orb2943072TN8984ZINC06069010
Show more names
2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-1H-isoindol-1-oneNP-0077052-(2-hydroxyethyl)-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]isoindolin-1-one1H-isoindol-1-one, 2,3-dihydro-2-(2-hydroxyethyl)-4-methoxy-5-methyl-6-[(3-methyl-2-butenyl)oxy]-2-(2-Hydroxy-ethyl)-4-methoxy-5-methyl-6-(3-methyl-but-2-enyloxy)-2,3-dihydro-isoindol-1-oneInChI=1/C17H23NO4/c1-11(2)5-8-22-15-9-13-14(16(21-4)12(15)3)10-18(6-7-19)17(13)20/h5,9,19H,6-8,10H2,1-4H
Database identifiers
- CAS
143114-82-3- PubChem CID
- 178688
- DTXSID
DTXSID60162315- Nikkaji
- J1.795.174B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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