4-(4-phenylmethoxybut-2-ynyl)morpholine

C15H19NO2 — CID 655244

IUPAC4-(4-phenylmethoxybut-2-ynyl)morpholine
SMILESC(#CCN1CCOCC1)COCc1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16/h1-3,6-7H,8-14H2
InChIKeyMYZZKCILEIFAIR-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.54
Rot. Bonds4

About 4-(4-phenylmethoxybut-2-ynyl)morpholine

4-(4-phenylmethoxybut-2-ynyl)morpholine (PubChem CID 655244) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(4-phenylmethoxybut-2-ynyl)morpholine.

Molecular Properties

Compound Name4-(4-phenylmethoxybut-2-ynyl)morpholine
PubChem CID655244
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(4-phenylmethoxybut-2-ynyl)morpholine
SMILESC(#CCN1CCOCC1)COCc1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16/h1-3,6-7H,8-14H2
InChIKeyMYZZKCILEIFAIR-UHFFFAOYSA-N
XLogP1.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxybut-2-ynyl)morpholine?
The IUPAC name of 4-(4-phenylmethoxybut-2-ynyl)morpholine (CID 655244) is 4-(4-phenylmethoxybut-2-ynyl)morpholine.
What is the SMILES notation for 4-(4-phenylmethoxybut-2-ynyl)morpholine?
The canonical SMILES for 4-(4-phenylmethoxybut-2-ynyl)morpholine is C(#CCN1CCOCC1)COCc1ccccc1.
What is the InChIKey of 4-(4-phenylmethoxybut-2-ynyl)morpholine?
The InChIKey is MYZZKCILEIFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-6-15(7-3-1)14-18-11-5-4-8-16-9-12-17-13-10-16/h1-3,6-7H,8-14H2.
What are the key properties of 4-(4-phenylmethoxybut-2-ynyl)morpholine?
4-(4-phenylmethoxybut-2-ynyl)morpholine has a molecular weight of 245.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxybut-2-ynyl)morpholine is sourced from PubChem (CID 655244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).