(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate

C18H15NO5 — CID 132786913

IUPAC(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO5/c1-11-6-5-7-12(2)16(11)23-10-15(20)24-19-17(21)13-8-3-4-9-14(13)18(19)22/h3-9H,10H2,1-2H3
InChIKeyDANFBOLXCMAKAD-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.44
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate

(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate (PubChem CID 132786913) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate
PubChem CID132786913
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO5/c1-11-6-5-7-12(2)16(11)23-10-15(20)24-19-17(21)13-8-3-4-9-14(13)18(19)22/h3-9H,10H2,1-2H3
InChIKeyDANFBOLXCMAKAD-UHFFFAOYSA-N
XLogP2.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate
CID 5062983
[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 170058298
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
CID 170920036
(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 176989880
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
(1,3-dioxoisoindol-2-yl) 2-octan-2-yloxyacetate
CID 129308444
(2,6-dimethylphenyl) 2-phenoxyacetate
CID 678664
(1,3-dioxoisoindol-2-yl) 6-oxo-6-phenylhexanoate
CID 176730322

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate (CID 132786913) is (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate is Cc1cccc(C)c1OCC(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate?
The InChIKey is DANFBOLXCMAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-11-6-5-7-12(2)16(11)23-10-15(20)24-19-17(21)13-8-3-4-9-14(13)18(19)22/h3-9H,10H2,1-2H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate?
(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate has a molecular weight of 325.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 132786913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).