2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione

C19H19NO4 — CID 51354396

IUPAC2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCc1ccccc1
InChIInChI=1S/C19H19NO4/c21-18-16-8-4-5-9-17(16)19(22)20(18)10-11-23-12-13-24-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyVABDBKFDWJHKQE-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.52
Rot. Bonds8

About 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione

2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione (PubChem CID 51354396) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
PubChem CID51354396
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCc1ccccc1
InChIInChI=1S/C19H19NO4/c21-18-16-8-4-5-9-17(16)19(22)20(18)10-11-23-12-13-24-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyVABDBKFDWJHKQE-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
CID 143275850
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
2-[(E)-4-phenylmethoxybut-2-enyl]isoindole-1,3-dione
CID 139959561
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808
1-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
CID 144763307

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione (CID 51354396) is 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOCCOCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione?
The InChIKey is VABDBKFDWJHKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18-16-8-4-5-9-17(16)19(22)20(18)10-11-23-12-13-24-14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione?
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione has a molecular weight of 325.36 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 51354396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).