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

C16H21NO3 — CID 79183075

IUPAC4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
SMILESCN1CCOC(COc2cccc(C#CCCO)c2)C1
InChIInChI=1S/C16H21NO3/c1-17-8-10-19-16(12-17)13-20-15-7-4-6-14(11-15)5-2-3-9-18/h4,6-7,11,16,18H,3,8-10,12-13H2,1H3
InChIKeyCCLYPHYHMPGTNK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.13
Rot. Bonds4

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

4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol (PubChem CID 79183075) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
PubChem CID79183075
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
SMILESCN1CCOC(COc2cccc(C#CCCO)c2)C1
InChIInChI=1S/C16H21NO3/c1-17-8-10-19-16(12-17)13-20-15-7-4-6-14(11-15)5-2-3-9-18/h4,6-7,11,16,18H,3,8-10,12-13H2,1H3
InChIKeyCCLYPHYHMPGTNK-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.13
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

2-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]-4-methylmorpholine
CID 79182986
3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 81325966
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
N-[1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79172241
N-methyl-1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171290
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
2-[[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]methyl]-4-methylmorpholine
CID 83134872
3-[2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-amine
CID 83134489
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol (CID 79183075) is 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol is CN1CCOC(COc2cccc(C#CCCO)c2)C1.
What is the InChIKey of 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
The InChIKey is CCLYPHYHMPGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17-8-10-19-16(12-17)13-20-15-7-4-6-14(11-15)5-2-3-9-18/h4,6-7,11,16,18H,3,8-10,12-13H2,1H3.
What are the key properties of 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol?
4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol has a molecular weight of 275.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 79183075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).