4-(4-ethynyl-3-methylphenyl)morpholine

C13H15NO — CID 169489219

IUPAC4-(4-ethynyl-3-methylphenyl)morpholine
SMILESC#Cc1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C13H15NO/c1-3-12-4-5-13(10-11(12)2)14-6-8-15-9-7-14/h1,4-5,10H,6-9H2,2H3
InChIKeyFBKIOYXLXZIEMW-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.81
Rot. Bonds1

About 4-(4-ethynyl-3-methylphenyl)morpholine

4-(4-ethynyl-3-methylphenyl)morpholine (PubChem CID 169489219) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(4-ethynyl-3-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-ethynyl-3-methylphenyl)morpholine
PubChem CID169489219
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(4-ethynyl-3-methylphenyl)morpholine
SMILESC#Cc1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C13H15NO/c1-3-12-4-5-13(10-11(12)2)14-6-8-15-9-7-14/h1,4-5,10H,6-9H2,2H3
InChIKeyFBKIOYXLXZIEMW-UHFFFAOYSA-N
XLogP1.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynyl-3-methylphenyl)morpholine?
The IUPAC name of 4-(4-ethynyl-3-methylphenyl)morpholine (CID 169489219) is 4-(4-ethynyl-3-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-ethynyl-3-methylphenyl)morpholine?
The canonical SMILES for 4-(4-ethynyl-3-methylphenyl)morpholine is C#Cc1ccc(N2CCOCC2)cc1C.
What is the InChIKey of 4-(4-ethynyl-3-methylphenyl)morpholine?
The InChIKey is FBKIOYXLXZIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-12-4-5-13(10-11(12)2)14-6-8-15-9-7-14/h1,4-5,10H,6-9H2,2H3.
What are the key properties of 4-(4-ethynyl-3-methylphenyl)morpholine?
4-(4-ethynyl-3-methylphenyl)morpholine has a molecular weight of 201.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynyl-3-methylphenyl)morpholine is sourced from PubChem (CID 169489219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).