2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate

C18H13Cl2NO5 — CID 7951334

IUPAC2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2NO5/c19-13-6-3-7-14(20)16(13)26-9-8-25-15(22)10-21-17(23)11-4-1-2-5-12(11)18(21)24/h1-7H,8-10H2
InChIKeyRDBBYWWGTZSXNV-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.21
Rot. Bonds6

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

2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 7951334) has the molecular formula C18H13Cl2NO5 and a molecular weight of 394.21 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID7951334
Molecular FormulaC18H13Cl2NO5
Molecular Weight394.21 g/mol
Exact Mass393.02
IUPAC Name2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2NO5/c19-13-6-3-7-14(20)16(13)26-9-8-25-15(22)10-21-17(23)11-4-1-2-5-12(11)18(21)24/h1-7H,8-10H2
InChIKeyRDBBYWWGTZSXNV-UHFFFAOYSA-N
XLogP3.21
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 954150
[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 5194640
3-pyridin-3-ylpropyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 78772613
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
2-[4-(2-methyloxirane-2-carbonyl)phenoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)acetate;propane
CID 54247570
(4-chloro-2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8914024
(2,6-dichlorophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3379267
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide
CID 110294678
2-(1,3-dioxoisoindol-2-yl)acetic acid;2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 159573784
2-(4-chloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 117031849
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate (CID 7951334) is 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is RDBBYWWGTZSXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO5/c19-13-6-3-7-14(20)16(13)26-9-8-25-15(22)10-21-17(23)11-4-1-2-5-12(11)18(21)24/h1-7H,8-10H2.
What are the key properties of 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate?
2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 394.21 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)ethyl 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 7951334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).