(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate

C24H19NO6 — CID 2555543

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H19NO6/c26-22(31-16-25-23(27)20-8-4-5-9-21(20)24(25)28)15-30-19-12-10-18(11-13-19)29-14-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyRJCPLSCZCBYQMN-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.44
Rot. Bonds8

About (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate

(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 2555543) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID2555543
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H19NO6/c26-22(31-16-25-23(27)20-8-4-5-9-21(20)24(25)28)15-30-19-12-10-18(11-13-19)29-14-17-6-2-1-3-7-17/h1-13H,14-16H2
InChIKeyRJCPLSCZCBYQMN-UHFFFAOYSA-N
XLogP3.44
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 2-(3,4-dimethylphenoxy)acetate
CID 3502927
[2-[(1,3-dioxoisoindol-2-yl)methoxy]-2-oxoethyl] furan-2-carboxylate
CID 691329
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
phenylmethoxymethyl 2-(4-aminophenoxy)acetate
CID 102940304
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 17492143
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
2-[2-oxo-2-(2-phenylmethoxyphenyl)ethyl]isoindole-1,3-dione
CID 129076171

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate (CID 2555543) is (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate is O=C(COc1ccc(OCc2ccccc2)cc1)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is RJCPLSCZCBYQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c26-22(31-16-25-23(27)20-8-4-5-9-21(20)24(25)28)15-30-19-12-10-18(11-13-19)29-14-17-6-2-1-3-7-17/h1-13H,14-16H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 417.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 2555543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).