(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate

C18H15NO6 — CID 23966444

IUPAC(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)ON2C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C18H15NO6/c1-23-14-8-7-11(9-15(14)24-2)10-16(20)25-19-17(21)12-5-3-4-6-13(12)18(19)22/h3-9H,10H2,1-2H3
InChIKeyXLENQGDNYBOMEO-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.00
Rot. Bonds5

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

(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 23966444) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
PubChem CID23966444
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC Name(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)ON2C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C18H15NO6/c1-23-14-8-7-11(9-15(14)24-2)10-16(20)25-19-17(21)12-5-3-4-6-13(12)18(19)22/h3-9H,10H2,1-2H3
InChIKeyXLENQGDNYBOMEO-UHFFFAOYSA-N
XLogP2.00
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.00
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

7,8-Dimethoxy-5-methyl-1H-benzo[e]isoindole-1,3(2H)-dione
CID 44252656
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
Falipamil
CID 71222
2-[(3,4,5-Trimethoxyphenyl)methyl]isoindole-1,3-dione
CID 12250372
CC-3052
CID 112500503
2-Hydroxy-5-methoxyisoindoline-1,3-dione
CID 15893226
(1,3-Dioxoisoindolin-2-yl)methyl 4-methoxybenzoate
CID 892857
5-Ethyl-7,8-dimethoxy-1H-benzo[e]isoindole-1,3(2H)-dione
CID 44252657
(3Z)-3-[4-[benzyl(methyl)amino]butylidene]-5,6-dimethoxy-2-benzofuran-1-one
CID 156010431
3-[4-[benzyl(ethyl)amino]butyl]-5,6-dimethoxy-3H-2-benzofuran-1-one
CID 156012628
(3E)-5,6-dimethoxy-3-[4-[(2-methoxyphenyl)methyl-methylamino]butylidene]-2-benzofuran-1-one
CID 156012659
(3E)-3-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butylidene]-5,6-dimethoxy-2-benzofuran-1-one
CID 156016768

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate (CID 23966444) is (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)ON2C(=O)c3ccccc3C2=O)cc1OC.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is XLENQGDNYBOMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6/c1-23-14-8-7-11(9-15(14)24-2)10-16(20)25-19-17(21)12-5-3-4-6-13(12)18(19)22/h3-9H,10H2,1-2H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate?
(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 341.32 g/mol, XLogP of 2.00, 5 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) 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 23966444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).