4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one

C16H19NO4 — CID 79468596

IUPAC4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one
SMILESO=C1COCCN1CCOc1cccc(C#CCCO)c1
InChIInChI=1S/C16H19NO4/c18-9-2-1-4-14-5-3-6-15(12-14)21-11-8-17-7-10-20-13-16(17)19/h3,5-6,12,18H,2,7-11,13H2
InChIKeyHHCWOGKLDBOYJE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.66
Rot. Bonds5

About 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one

4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one (PubChem CID 79468596) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one
PubChem CID79468596
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one
SMILESO=C1COCCN1CCOc1cccc(C#CCCO)c1
InChIInChI=1S/C16H19NO4/c18-9-2-1-4-14-5-3-6-15(12-14)21-11-8-17-7-10-20-13-16(17)19/h3,5-6,12,18H,2,7-11,13H2
InChIKeyHHCWOGKLDBOYJE-UHFFFAOYSA-N
XLogP0.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one 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-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one?
The IUPAC name of 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one (CID 79468596) is 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one is O=C1COCCN1CCOc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one?
The InChIKey is HHCWOGKLDBOYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-9-2-1-4-14-5-3-6-15(12-14)21-11-8-17-7-10-20-13-16(17)19/h3,5-6,12,18H,2,7-11,13H2.
What are the key properties of 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one?
4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one has a molecular weight of 289.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-hydroxybut-1-ynyl)phenoxy]ethyl]morpholin-3-one is sourced from PubChem (CID 79468596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).