4-[3-(4-methylphenyl)prop-2-ynyl]morpholine

C14H17NO — CID 86095974

IUPAC4-[3-(4-methylphenyl)prop-2-ynyl]morpholine
SMILESCc1ccc(C#CCN2CCOCC2)cc1
InChIInChI=1S/C14H17NO/c1-13-4-6-14(7-5-13)3-2-8-15-9-11-16-12-10-15/h4-7H,8-12H2,1H3
InChIKeyCJISOKHLXZFOAL-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.68
Rot. Bonds1

About 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine

4-[3-(4-methylphenyl)prop-2-ynyl]morpholine (PubChem CID 86095974) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)prop-2-ynyl]morpholine
PubChem CID86095974
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-[3-(4-methylphenyl)prop-2-ynyl]morpholine
SMILESCc1ccc(C#CCN2CCOCC2)cc1
InChIInChI=1S/C14H17NO/c1-13-4-6-14(7-5-13)3-2-8-15-9-11-16-12-10-15/h4-7H,8-12H2,1H3
InChIKeyCJISOKHLXZFOAL-UHFFFAOYSA-N
XLogP1.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.68
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-[3-(4-methylphenyl)prop-2-ynyl]morpholine?
The IUPAC name of 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine (CID 86095974) is 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine.
What is the SMILES notation for 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine?
The canonical SMILES for 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine is Cc1ccc(C#CCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine?
The InChIKey is CJISOKHLXZFOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-13-4-6-14(7-5-13)3-2-8-15-9-11-16-12-10-15/h4-7H,8-12H2,1H3.
What are the key properties of 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine?
4-[3-(4-methylphenyl)prop-2-ynyl]morpholine has a molecular weight of 215.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)prop-2-ynyl]morpholine is sourced from PubChem (CID 86095974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).