2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol

C11H17NO2 — CID 83208994

IUPAC2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESCOCCn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C11H17NO2/c1-14-6-5-12-7-9-3-2-4-11(13)10(9)8-12/h7-8,11,13H,2-6H2,1H3
InChIKeyYXEMCAKBVCUQJD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol

2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208994) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208994
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESCOCCn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C11H17NO2/c1-14-6-5-12-7-9-3-2-4-11(13)10(9)8-12/h7-8,11,13H,2-6H2,1H3
InChIKeyYXEMCAKBVCUQJD-UHFFFAOYSA-N
XLogP1.50
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208994) is 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol is COCCn1cc2c(c1)C(O)CCC2.
What is the InChIKey of 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is YXEMCAKBVCUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-6-5-12-7-9-3-2-4-11(13)10(9)8-12/h7-8,11,13H,2-6H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 195.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).