4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol

C17H23NO3 — CID 81208031

IUPAC4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
SMILESCC1COC(CO)CN1Cc1cccc(C#CCCO)c1
InChIInChI=1S/C17H23NO3/c1-14-13-21-17(12-20)11-18(14)10-16-7-4-6-15(9-16)5-2-3-8-19/h4,6-7,9,14,17,19-20H,3,8,10-13H2,1H3
InChIKeyJZDZVFKVBZCIIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.00
Rot. Bonds4

About 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol

4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol (PubChem CID 81208031) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
PubChem CID81208031
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
SMILESCC1COC(CO)CN1Cc1cccc(C#CCCO)c1
InChIInChI=1S/C17H23NO3/c1-14-13-21-17(12-20)11-18(14)10-16-7-4-6-15(9-16)5-2-3-8-19/h4,6-7,9,14,17,19-20H,3,8,10-13H2,1H3
InChIKeyJZDZVFKVBZCIIH-UHFFFAOYSA-N
XLogP1.00
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81218645
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398
4-[2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208141
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[5-methyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81213298
[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
CID 97153639
4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
CID 83099089
4-[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]but-3-yn-1-ol
CID 62972396
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81208434
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol (CID 81208031) is 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol is CC1COC(CO)CN1Cc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is JZDZVFKVBZCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-14-13-21-17(12-20)11-18(14)10-16-7-4-6-15(9-16)5-2-3-8-19/h4,6-7,9,14,17,19-20H,3,8,10-13H2,1H3.
What are the key properties of 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol?
4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 81208031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).