2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate

C18H15NO4 — CID 854188

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate
SMILESCC(=O)OCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO4/c1-12(20)23-11-10-13-6-8-14(9-7-13)19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9H,10-11H2,1H3
InChIKeyRVCBIKBWDIMUDC-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate (PubChem CID 854188) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate
PubChem CID854188
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate
SMILESCC(=O)OCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO4/c1-12(20)23-11-10-13-6-8-14(9-7-13)19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9H,10-11H2,1H3
InChIKeyRVCBIKBWDIMUDC-UHFFFAOYSA-N
XLogP2.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate (CID 854188) is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate is CC(=O)OCCc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate?
The InChIKey is RVCBIKBWDIMUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-12(20)23-11-10-13-6-8-14(9-7-13)19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9H,10-11H2,1H3.
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate?
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate has a molecular weight of 309.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]ethyl acetate is sourced from PubChem (CID 854188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).