4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol

C17H23NO3 — CID 79172321

IUPAC4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
SMILESCCN1CCOC(COc2ccccc2C#CCCO)C1
InChIInChI=1S/C17H23NO3/c1-2-18-10-12-20-16(13-18)14-21-17-9-4-3-7-15(17)8-5-6-11-19/h3-4,7,9,16,19H,2,6,10-14H2,1H3
InChIKeyPCFFNCNLIFHNHF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds5

About 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol

4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol (PubChem CID 79172321) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
PubChem CID79172321
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
SMILESCCN1CCOC(COc2ccccc2C#CCCO)C1
InChIInChI=1S/C17H23NO3/c1-2-18-10-12-20-16(13-18)14-21-17-9-4-3-7-15(17)8-5-6-11-19/h3-4,7,9,16,19H,2,6,10-14H2,1H3
InChIKeyPCFFNCNLIFHNHF-UHFFFAOYSA-N
XLogP1.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 79172319
4-[2-(oxan-2-ylmethoxy)phenyl]but-3-yn-1-ol
CID 54923275
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
5-[(4-ethylmorpholin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79166703
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 79183075

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol (CID 79172321) is 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol is CCN1CCOC(COc2ccccc2C#CCCO)C1.
What is the InChIKey of 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The InChIKey is PCFFNCNLIFHNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-18-10-12-20-16(13-18)14-21-17-9-4-3-7-15(17)8-5-6-11-19/h3-4,7,9,16,19H,2,6,10-14H2,1H3.
What are the key properties of 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 79172321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).