3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol

C17H23NO3 — CID 79172319

IUPAC3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
SMILESCCN1CCOC(COc2ccc(C)cc2C#CCO)C1
InChIInChI=1S/C17H23NO3/c1-3-18-8-10-20-16(12-18)13-21-17-7-6-14(2)11-15(17)5-4-9-19/h6-7,11,16,19H,3,8-10,12-13H2,1-2H3
InChIKeyGBDNZXNQERRHCZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.44
Rot. Bonds4

About 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol

3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol (PubChem CID 79172319) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
PubChem CID79172319
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
SMILESCCN1CCOC(COc2ccc(C)cc2C#CCO)C1
InChIInChI=1S/C17H23NO3/c1-3-18-8-10-20-16(12-18)13-21-17-7-6-14(2)11-15(17)5-4-9-19/h6-7,11,16,19H,3,8-10,12-13H2,1-2H3
InChIKeyGBDNZXNQERRHCZ-UHFFFAOYSA-N
XLogP1.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.44
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

4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 79172321
3-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 62384806
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
3-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 60800600
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
(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
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol (CID 79172319) is 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol is CCN1CCOC(COc2ccc(C)cc2C#CCO)C1.
What is the InChIKey of 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The InChIKey is GBDNZXNQERRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-18-8-10-20-16(12-18)13-21-17-7-6-14(2)11-15(17)5-4-9-19/h6-7,11,16,19H,3,8-10,12-13H2,1-2H3.
What are the key properties of 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 79172319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).