2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione

C19H17NO4 — CID 76853033

IUPAC2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
SMILESO=C(CCCCON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-8-2-1-3-9-14)12-6-7-13-24-20-18(22)15-10-4-5-11-16(15)19(20)23/h1-5,8-11H,6-7,12-13H2
InChIKeyXOMAEGRKZOAPRC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.27
Rot. Bonds7

About 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione

2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione (PubChem CID 76853033) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
PubChem CID76853033
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
SMILESO=C(CCCCON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-17(14-8-2-1-3-9-14)12-6-7-13-24-20-18(22)15-10-4-5-11-16(15)19(20)23/h1-5,8-11H,6-7,12-13H2
InChIKeyXOMAEGRKZOAPRC-UHFFFAOYSA-N
XLogP3.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.27
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

(1,3-dioxoisoindol-2-yl) 6-oxo-6-phenylhexanoate
CID 176730322
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
1,15-diphenylpentadecane-1,15-dione
CID 159981687
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
benzyl N-[4-(1,3-dioxoisoindol-2-yl)oxybutyl]carbamate
CID 154666653
(7-oxo-7-phenylheptyl) formate
CID 87851499
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-[11-[4-[4-[11-(1,3-dioxoisoindol-2-yl)undecanoyl]phenoxy]phenyl]-11-oxoundecyl]isoindole-1,3-dione
CID 100984995
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
1-(4-iodophenyl)-5-phenoxypentan-1-one
CID 86194293
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
12-hydroxy-1-phenyldodecan-1-one
CID 11482778

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione?
The IUPAC name of 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione (CID 76853033) is 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione is O=C(CCCCON1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione?
The InChIKey is XOMAEGRKZOAPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17(14-8-2-1-3-9-14)12-6-7-13-24-20-18(22)15-10-4-5-11-16(15)19(20)23/h1-5,8-11H,6-7,12-13H2.
What are the key properties of 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione?
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione has a molecular weight of 323.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione is sourced from PubChem (CID 76853033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).