4-hydroxy-3-octylmorpholine

C12H25NO2 — CID 172784874

IUPAC4-hydroxy-3-octylmorpholine
SMILESCCCCCCCCC1COCCN1O
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-12-11-15-10-9-13(12)14/h12,14H,2-11H2,1H3
InChIKeyOTHUIUSOLWLICA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.83
Rot. Bonds7

About 4-hydroxy-3-octylmorpholine

4-hydroxy-3-octylmorpholine (PubChem CID 172784874) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-hydroxy-3-octylmorpholine.

Molecular Properties

Compound Name4-hydroxy-3-octylmorpholine
PubChem CID172784874
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-hydroxy-3-octylmorpholine
SMILESCCCCCCCCC1COCCN1O
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-12-11-15-10-9-13(12)14/h12,14H,2-11H2,1H3
InChIKeyOTHUIUSOLWLICA-UHFFFAOYSA-N
XLogP2.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-octylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-octylmorpholine?
The IUPAC name of 4-hydroxy-3-octylmorpholine (CID 172784874) is 4-hydroxy-3-octylmorpholine.
What is the SMILES notation for 4-hydroxy-3-octylmorpholine?
The canonical SMILES for 4-hydroxy-3-octylmorpholine is CCCCCCCCC1COCCN1O.
What is the InChIKey of 4-hydroxy-3-octylmorpholine?
The InChIKey is OTHUIUSOLWLICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-12-11-15-10-9-13(12)14/h12,14H,2-11H2,1H3.
What are the key properties of 4-hydroxy-3-octylmorpholine?
4-hydroxy-3-octylmorpholine has a molecular weight of 215.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-octylmorpholine is sourced from PubChem (CID 172784874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).