methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate

C19H17NO5 — CID 14917019

IUPACmethyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H17NO5/c1-24-17(21)12-13-5-4-6-14(11-13)25-10-9-20-18(22)15-7-2-3-8-16(15)19(20)23/h2-8,11H,9-10,12H2,1H3
InChIKeyFGMQBVVCRWQOMR-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.08
Rot. Bonds6

About methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate

methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate (PubChem CID 14917019) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
PubChem CID14917019
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H17NO5/c1-24-17(21)12-13-5-4-6-14(11-13)25-10-9-20-18(22)15-7-2-3-8-16(15)19(20)23/h2-8,11H,9-10,12H2,1H3
InChIKeyFGMQBVVCRWQOMR-UHFFFAOYSA-N
XLogP2.08
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.08
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

methyl 2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 22985467
methyl 2-[3-(2-hydroxyethoxy)phenyl]acetate
CID 134821202
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
tert-butyl 3-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenoxy]propanoate
CID 69213221
2-[3-[3-(4-methoxybutoxy)phenyl]propyl]isoindole-1,3-dione
CID 67316748
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3,4-dimethoxyphenyl)acetate
CID 3542675
2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
CID 67316681
2-[3-[3-(chloromethyl)phenoxy]propyl]isoindole-1,3-dione
CID 13452204
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767496

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate (CID 14917019) is methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate is COC(=O)Cc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate?
The InChIKey is FGMQBVVCRWQOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-17(21)12-13-5-4-6-14(11-13)25-10-9-20-18(22)15-7-2-3-8-16(15)19(20)23/h2-8,11H,9-10,12H2,1H3.
What are the key properties of methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate?
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate has a molecular weight of 339.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate is sourced from PubChem (CID 14917019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).