2-(1-phenylethenoxy)isoindole-1,3-dione

C16H11NO3 — CID 13332656

IUPAC2-(1-phenylethenoxy)isoindole-1,3-dione
SMILESC=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H11NO3/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-10H,1H2
InChIKeyYVBTYNSMYNOYRS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.89
Rot. Bonds3

About 2-(1-phenylethenoxy)isoindole-1,3-dione

2-(1-phenylethenoxy)isoindole-1,3-dione (PubChem CID 13332656) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(1-phenylethenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-phenylethenoxy)isoindole-1,3-dione
PubChem CID13332656
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(1-phenylethenoxy)isoindole-1,3-dione
SMILESC=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C16H11NO3/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-10H,1H2
InChIKeyYVBTYNSMYNOYRS-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

O-(1,3-dioxoisoindol-2-yl) benzenecarbothioate
CID 175000687
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
(1,3-dioxoisoindol-2-yl) 6-oxo-6-phenylhexanoate
CID 176730322
2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
CID 170920036
(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
CID 154719363
[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 170058298
(1,3-dioxoisoindol-2-yl) 4-formylbenzoate
CID 155905846
2-aminooxyisoindole-1,3-dione
CID 89054763
1-[1-(4-methylphenyl)ethenoxy]pyrrolidine-2,5-dione
CID 159284637
(1,3-dioxoisoindol-2-yl) 3-(trifluoromethyl)benzoate
CID 91726288
(1,3-dioxoisoindol-2-yl) 2-(N-methylanilino)-2-oxoacetate
CID 132571998

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(1-phenylethenoxy)isoindole-1,3-dione (CID 13332656) is 2-(1-phenylethenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-phenylethenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(1-phenylethenoxy)isoindole-1,3-dione is C=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylethenoxy)isoindole-1,3-dione?
The InChIKey is YVBTYNSMYNOYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-11(12-7-3-2-4-8-12)20-17-15(18)13-9-5-6-10-14(13)16(17)19/h2-10H,1H2.
What are the key properties of 2-(1-phenylethenoxy)isoindole-1,3-dione?
2-(1-phenylethenoxy)isoindole-1,3-dione has a molecular weight of 265.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenoxy)isoindole-1,3-dione is sourced from PubChem (CID 13332656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).