(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate

C18H15NO5 — CID 734115

IUPAC(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCOc1ccccc1OC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO5/c1-2-23-14-9-5-6-10-15(14)24-16(20)11-19-17(21)12-7-3-4-8-13(12)18(19)22/h3-10H,2,11H2,1H3
InChIKeyWNGBLWRMWAPYQD-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.29
Rot. Bonds5

About (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate

(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 734115) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID734115
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCOc1ccccc1OC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H15NO5/c1-2-23-14-9-5-6-10-15(14)24-16(20)11-19-17(21)12-7-3-4-8-13(12)18(19)22/h3-10H,2,11H2,1H3
InChIKeyWNGBLWRMWAPYQD-UHFFFAOYSA-N
XLogP2.29
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
2-[3-(2-allylphenoxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
CID 2916180
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 10548552
Methyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxybenzoate
CID 728514
2-acetyl-4-methylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 733522
2-[2-(3-isopropoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1262692
2,5-dimethylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 2193449
4-methoxyphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 2937346
2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
CID 2991897

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate (CID 734115) is (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate is CCOc1ccccc1OC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is WNGBLWRMWAPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-2-23-14-9-5-6-10-15(14)24-16(20)11-19-17(21)12-7-3-4-8-13(12)18(19)22/h3-10H,2,11H2,1H3.
What are the key properties of (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate?
(2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 325.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 734115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).