2-(4-chlorophenoxy)isoindole-1,3-dione

C14H8ClNO3 — CID 15370735

IUPAC2-(4-chlorophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNO3/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChIKeyYUZOGNQSVZOYJY-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.93
Rot. Bonds2

About 2-(4-chlorophenoxy)isoindole-1,3-dione

2-(4-chlorophenoxy)isoindole-1,3-dione (PubChem CID 15370735) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-chlorophenoxy)isoindole-1,3-dione
PubChem CID15370735
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name2-(4-chlorophenoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Oc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClNO3/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChIKeyYUZOGNQSVZOYJY-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylphenoxy)isoindole-1,3-dione
CID 154814720
2-[4-(4-methylphenyl)sulfonylphenoxy]isoindole-1,3-dione
CID 10500776
2-[(4-chlorophenyl)diazenyl]oxyisoindole-1,3-dione
CID 11514965
2-aminooxyisoindole-1,3-dione
CID 89054763
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
(1,3-dioxoisoindol-2-yl) 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 168720333
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
(4-chlorophenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 2133038
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
2-[2-(trifluoromethyl)phenoxy]isoindole-1,3-dione
CID 133057511
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)isoindole-1,3-dione?
The IUPAC name of 2-(4-chlorophenoxy)isoindole-1,3-dione (CID 15370735) is 2-(4-chlorophenoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-chlorophenoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(4-chlorophenoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)isoindole-1,3-dione?
The InChIKey is YUZOGNQSVZOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H.
What are the key properties of 2-(4-chlorophenoxy)isoindole-1,3-dione?
2-(4-chlorophenoxy)isoindole-1,3-dione has a molecular weight of 273.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)isoindole-1,3-dione is sourced from PubChem (CID 15370735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).