2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol

C15H25NO4 — CID 104565395

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESCOCCOCCOCCn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C15H25NO4/c1-18-7-8-20-10-9-19-6-5-16-11-13-3-2-4-15(17)14(13)12-16/h11-12,15,17H,2-10H2,1H3
InChIKeySLKOEJCQXOFGLB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.54
Rot. Bonds9

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 104565395) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID104565395
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESCOCCOCCOCCn1cc2c(c1)C(O)CCC2
InChIInChI=1S/C15H25NO4/c1-18-7-8-20-10-9-19-6-5-16-11-13-3-2-4-15(17)14(13)12-16/h11-12,15,17H,2-10H2,1H3
InChIKeySLKOEJCQXOFGLB-UHFFFAOYSA-N
XLogP1.54
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 104565395) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol is COCCOCCOCCn1cc2c(c1)C(O)CCC2.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is SLKOEJCQXOFGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-18-7-8-20-10-9-19-6-5-16-11-13-3-2-4-15(17)14(13)12-16/h11-12,15,17H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 283.37 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 104565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).