4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine

C21H23NO2 — CID 101430688

IUPAC4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
SMILESCCOc1ccccc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C21H23NO2/c1-2-24-21-11-7-6-10-19(21)20(22-14-16-23-17-15-22)13-12-18-8-4-3-5-9-18/h3-11,20H,2,14-17H2,1H3
InChIKeyAONXZISDFXNDIW-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.51
Rot. Bonds4

About 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine

4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine (PubChem CID 101430688) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
PubChem CID101430688
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine
SMILESCCOc1ccccc1C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C21H23NO2/c1-2-24-21-11-7-6-10-19(21)20(22-14-16-23-17-15-22)13-12-18-8-4-3-5-9-18/h3-11,20H,2,14-17H2,1H3
InChIKeyAONXZISDFXNDIW-UHFFFAOYSA-N
XLogP3.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
2-(1-morpholin-4-yl-3-phenylprop-2-ynyl)-6-nitrophenol
CID 45146465
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
CID 82020175
1-(2-ethoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79057615
1-(2-ethoxyphenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051912
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
4-(1-cyclohexyl-5-phenylpenta-1,4-diyn-3-yl)morpholine
CID 132547689
2-(2-ethoxyphenyl)-1-morpholin-4-yl-2-piperazin-1-ylethanone
CID 83979104
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
4-[morpholin-4-yl-[4-(2-phenylethynyl)phenyl]methyl]morpholine
CID 623968
2-(2-ethoxyphenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539891

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
The IUPAC name of 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine (CID 101430688) is 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine.
What is the SMILES notation for 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
The canonical SMILES for 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine is CCOc1ccccc1C(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
The InChIKey is AONXZISDFXNDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-24-21-11-7-6-10-19(21)20(22-14-16-23-17-15-22)13-12-18-8-4-3-5-9-18/h3-11,20H,2,14-17H2,1H3.
What are the key properties of 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine?
4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine has a molecular weight of 321.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyphenyl)-3-phenylprop-2-ynyl]morpholine is sourced from PubChem (CID 101430688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).