2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate

C24H19NO5 — CID 8920001

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate
SMILESO=C(COc1ccccc1-c1ccccc1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H19NO5/c26-22(16-30-21-13-7-6-10-18(21)17-8-2-1-3-9-17)29-15-14-25-23(27)19-11-4-5-12-20(19)24(25)28/h1-13H,14-16H2
InChIKeyKSDYCLNXYFVILX-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.57
Rot. Bonds7

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

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate (PubChem CID 8920001) has the molecular formula C24H19NO5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate
PubChem CID8920001
Molecular FormulaC24H19NO5
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate
SMILESO=C(COc1ccccc1-c1ccccc1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H19NO5/c26-22(16-30-21-13-7-6-10-18(21)17-8-2-1-3-9-17)29-15-14-25-23(27)19-11-4-5-12-20(19)24(25)28/h1-13H,14-16H2
InChIKeyKSDYCLNXYFVILX-UHFFFAOYSA-N
XLogP3.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.57
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-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-propanoylphenoxy)acetate
CID 9326697
2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
3-(1,3-dioxoisoindol-2-yl)propyl 2-methoxyacetate
CID 110495069
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
CID 5145140
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 7118477
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920045
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548047
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
CID 8919855
1,3-benzothiazol-2-ylmethyl 2-(2-phenylphenoxy)acetate
CID 8919415
2-[5-(3-methoxy-4-phenylphenoxy)pentyl]isoindole-1,3-dione
CID 21281161

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate (CID 8920001) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate is O=C(COc1ccccc1-c1ccccc1)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate?
The InChIKey is KSDYCLNXYFVILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO5/c26-22(16-30-21-13-7-6-10-18(21)17-8-2-1-3-9-17)29-15-14-25-23(27)19-11-4-5-12-20(19)24(25)28/h1-13H,14-16H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate has a molecular weight of 401.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 8920001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).