4-(3-pent-4-ynoxyphenyl)morpholine

C15H19NO2 — CID 71317266

IUPAC4-(3-pent-4-ynoxyphenyl)morpholine
SMILESC#CCCCOc1cccc(N2CCOCC2)c1
InChIInChI=1S/C15H19NO2/c1-2-3-4-10-18-15-7-5-6-14(13-15)16-8-11-17-12-9-16/h1,5-7,13H,3-4,8-12H2
InChIKeyQJCMEIGWCLPZIS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.32
Rot. Bonds5

About 4-(3-pent-4-ynoxyphenyl)morpholine

4-(3-pent-4-ynoxyphenyl)morpholine (PubChem CID 71317266) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(3-pent-4-ynoxyphenyl)morpholine.

Molecular Properties

Compound Name4-(3-pent-4-ynoxyphenyl)morpholine
PubChem CID71317266
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(3-pent-4-ynoxyphenyl)morpholine
SMILESC#CCCCOc1cccc(N2CCOCC2)c1
InChIInChI=1S/C15H19NO2/c1-2-3-4-10-18-15-7-5-6-14(13-15)16-8-11-17-12-9-16/h1,5-7,13H,3-4,8-12H2
InChIKeyQJCMEIGWCLPZIS-UHFFFAOYSA-N
XLogP2.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.32
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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Related Compounds

2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite
CID 163276537
(E)-5-(3-morpholin-4-ylphenoxy)pent-2-enal
CID 102287381
4-(3-sulfanyloxyphenyl)morpholine
CID 142914398
3-(3-piperidin-1-ylphenoxy)propan-1-amine
CID 19816119
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
2-[2-[3-(3-morpholin-4-ylphenoxy)propoxy]carbazol-9-yl]acetic acid
CID 58948662
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
2-carbazol-9-yl-2-[5-(3-morpholin-4-ylphenoxy)pentoxy]acetic acid
CID 69423408
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[3-(4-chlorobut-1-ynyl)phenyl]morpholine
CID 170468513

Frequently Asked Questions

What is the IUPAC name of 4-(3-pent-4-ynoxyphenyl)morpholine?
The IUPAC name of 4-(3-pent-4-ynoxyphenyl)morpholine (CID 71317266) is 4-(3-pent-4-ynoxyphenyl)morpholine.
What is the SMILES notation for 4-(3-pent-4-ynoxyphenyl)morpholine?
The canonical SMILES for 4-(3-pent-4-ynoxyphenyl)morpholine is C#CCCCOc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-pent-4-ynoxyphenyl)morpholine?
The InChIKey is QJCMEIGWCLPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-3-4-10-18-15-7-5-6-14(13-15)16-8-11-17-12-9-16/h1,5-7,13H,3-4,8-12H2.
What are the key properties of 4-(3-pent-4-ynoxyphenyl)morpholine?
4-(3-pent-4-ynoxyphenyl)morpholine has a molecular weight of 245.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pent-4-ynoxyphenyl)morpholine is sourced from PubChem (CID 71317266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).