1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol

C12H23NO2 — CID 4916530

IUPAC1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
SMILESCOCCN1CCC(O)C2CCCCC21
InChIInChI=1S/C12H23NO2/c1-15-9-8-13-7-6-12(14)10-4-2-3-5-11(10)13/h10-12,14H,2-9H2,1H3
InChIKeyAHGSGJBYLULRAA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds3

About 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol

1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol (PubChem CID 4916530) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
PubChem CID4916530
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
SMILESCOCCN1CCC(O)C2CCCCC21
InChIInChI=1S/C12H23NO2/c1-15-9-8-13-7-6-12(14)10-4-2-3-5-11(10)13/h10-12,14H,2-9H2,1H3
InChIKeyAHGSGJBYLULRAA-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
The IUPAC name of 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol (CID 4916530) is 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol is COCCN1CCC(O)C2CCCCC21.
What is the InChIKey of 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
The InChIKey is AHGSGJBYLULRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-15-9-8-13-7-6-12(14)10-4-2-3-5-11(10)13/h10-12,14H,2-9H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol?
1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol is sourced from PubChem (CID 4916530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).