5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one

C12H15NO3 — CID 22594208

IUPAC5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2cc(OC)ccc2C1=O
InChIInChI=1S/C12H15NO3/c1-15-6-5-13-8-9-7-10(16-2)3-4-11(9)12(13)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHSPOVXQWOXOHIR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.30
Rot. Bonds4

About 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one

5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one (PubChem CID 22594208) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
PubChem CID22594208
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2cc(OC)ccc2C1=O
InChIInChI=1S/C12H15NO3/c1-15-6-5-13-8-9-7-10(16-2)3-4-11(9)12(13)14/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHSPOVXQWOXOHIR-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one?
The IUPAC name of 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one (CID 22594208) is 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one?
The canonical SMILES for 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one is COCCN1Cc2cc(OC)ccc2C1=O.
What is the InChIKey of 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one?
The InChIKey is HSPOVXQWOXOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-6-5-13-8-9-7-10(16-2)3-4-11(9)12(13)14/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one?
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one has a molecular weight of 221.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one is sourced from PubChem (CID 22594208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).